General Information of the Compound
Compound ID
CP0635477
Compound Name
(2-Carbamoyloxy-ethyl)-trimethyl-ammonium chloride
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Synonyms
(2-Carbamoyloxy-ethyl)-trimethyl-ammonium
(2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol)
(2-Carbamoyloxyethyl)trimethylammonium chloride
(2-Hydroxyethyl)trimethyl ammonium chloride carbamate
(2-Hydroxyethyl)trimethylammonium chloride carbamate
(carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium
2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride
2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride
2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride
2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride
2-carbamoyloxyethyl(trimethyl)azanium chloride
C 4382
C-1770
CARBACHOL CHLORIDE
Carbach
Carbachol
Carbachol (JAN/USP/INN)
Carbachol [INN:BAN:JAN]
Carbachol hydrochloride
Carbacholin
Carbacholine
Carbacholine chloride
Carbacholini chloridum
Carbacholinium chloratum
Carbacholinum
Carbacholum
Carbacholum [INN-Latin]
Carbacholum chloratum
Carbacol
Carbacol [INN-Spanish]
Carbacolina
Carbacolo
Carbacolo [DCIT]
Carbamic acid, ester with choline chloride
Carbaminocholine chloride
Carbaminoylcholine chloride
Carbamiotin
Carbamoylcholine
Carbamoylcholine chloride
Carbamoylcholine-hydrochloride
Carbamylcholine chloride
Carbastat
Carbastat (TN)
Carbochol
Carbocholin
Carbocholine
Carboptic (TN)
Carbyl
Carcholin
Choline carbamate chloride
Choline chloride carbamate
Choline chloride, carbamate
Choline chlorine carbamate
Choline, chloride carbamate(ester)
Choline, chloride, carbamate
Choline, chloride, carbamate, hydrochloride
Coletyl
Doryl
Doryl (VAN)
Doryl (pharmaceutical)
Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride
Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1)
Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride
Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride
Gamma-Carbamoyl choline chloride
Isopto Carbachol
Isopto Carbachol (TN)
Jestryl
Karbachol
Karbachol [Czech]
Karbamoylcholin chlorid
Karbamoylcholin chlorid [Czech]
Lentin
Lentine
Lentine [French]
Miostat
Miostat (TN)
Mistura C
Moryl
P. V. Carbachol
Rilentol
TL 457
Vasoperif
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Structure
Formula
C6H15ClN2O2
Molecular Weight
182.651
Canonical SMILES
C[N+](C)(C)CCOC(N)=O.[Cl-]
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InChI
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
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InChIKey
AIXAANGOTKPUOY-UHFFFAOYSA-N
CAS
51-83-2
Physicochemical Property
logP
-3.2081
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
52.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
11

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 53627818
SID: 15120660
ChEMBL ID
CHEMBL14
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1258.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 250 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  4
1
EC50 = 954.99 nM
   TI
   LI
   LO
   TS
2
EC50 = 10715.19 nM
   TI
   LI
   LO
   TS
3
IC50 = 457.09 nM
   TI
   LI
   LO
   TS
4
Ki = 63000 nM
   TI
   LI
   LO
   TS
CL000398 A-9 Mus musculus (Mouse)  7
1
EC50 = 3162.28 nM
   TI
   LI
   LO
   TS
2
EC50 = 3811 nM
   TI
   LI
   LO
   TS
3
EC50 = 5011.87 nM
   TI
   LI
   LO
   TS
4
EC50 = 13000 nM
   TI
   LI
   LO
   TS
5
EC50 = 15848.93 nM
   TI
   LI
   LO
   TS
6
Ki = 3162.28 nM
   TI
   LI
   LO
   TS
7
Ki = 20000 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  6
1
EC50 = 5690 nM
   TI
   LI
   LO
   TS
2
IC50 = 4090 nM
   TI
   LI
   LO
   TS
3
IC50 = 10000 nM
   TI
   LI
   LO
   TS
4
Ki = 170 nM
   TI
   LI
   LO
   TS
5
Ki = 12022.64 nM
   TI
   LI
   LO
   TS
6
Ki = 38018.94 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  2
1
ED50 = 1210 nM
   TI
   LI
   LO
   TS
2
ED50 = 6500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4600 nM
2 Ki = 12000 nM
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 650 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 31 nM
Protein ID: PT03415, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  4
1
EC50 = 40000 nM
   TI
   LI
   LO
   TS
2
Ki = 19.9 nM
   TI
   LI
   LO
   TS
3
Ki = 37.1 nM
   TI
   LI
   LO
   TS
4
Ki = 739 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 107.15 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  9
1
EC50 = 700 nM
   TI
   LI
   LO
   TS
2
EC50 = 61000 nM
   TI
   LI
   LO
   TS
3
ED50 = 270 nM
   TI
   LI
   LO
   TS
4
IC50 = 3.8 nM
   TI
   LI
   LO
   TS
5
IC50 = 3460 nM
   TI
   LI
   LO
   TS
6
Ki = 20 nM
   TI
   LI
   LO
   TS
7
Ki = 38 nM
   TI
   LI
   LO
   TS
8
Ki = 1230.27 nM
   TI
   LI
   LO
   TS
9
Ki = 1318.26 nM
   TI
   LI
   LO
   TS
CL001014 CHO-CHRM2 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 700 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
ED50 = 22.8 nM
   TI
   LI
   LO
   TS
CL000398 A-9 Mus musculus (Mouse)  2
1
IC50 = 12.59 nM
   TI
   LI
   LO
   TS
2
Ki = 100 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 4100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 74 nM
2 IC50 = 130 nM
3 IC50 = 1400 nM
4 IC50 = 3100 nM
5 Ki = 1300 nM
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
2
IC50 = 3100 nM
   TI
   LI
   LO
   TS
Protein ID: PT04553, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  1
1
Km = 46 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 22 nM
   TI
   LI
   LO
   TS
2
EC50 = 25 nM
   TI
   LI
   LO
   TS
3
EC50 = 15000 nM
   TI
   LI
   LO
   TS
CL000398 A-9 Mus musculus (Mouse)  2
1
EC50 = 5011.87 nM
   TI
   LI
   LO
   TS
2
Ki = 6309.57 nM
   TI
   LI
   LO
   TS
CL000289 SK-N-SH Homo sapiens (Human)  1
1
EC50 = 10600 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
ED50 = 100 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 880 nM
   TI
   LI
   LO
   TS
2
Ki = 43651.58 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 51000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1800 nM
2 IC50 = 9100 nM
3 Ki = 20000 nM
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 480 nM
   TI
   LI
   LO
   TS
Protein ID: PT06153, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  1
1
EC50 = 9900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 44.67 nM
   TI
   LI
   LO
   TS
2
EC50 = 2238.72 nM
   TI
   LI
   LO
   TS
CL000278 RBL-2H3 Rattus norvegicus (Rat)  1
1
EC50 = 290 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  5
1
EC50 = 60000 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
3
Ki = 24 nM
   TI
   LI
   LO
   TS
4
Ki = 2600 nM
   TI
   LI
   LO
   TS
5
Ki = 6309.57 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
ED50 = 100 nM
   TI
   LI
   LO
   TS
CL000398 A-9 Mus musculus (Mouse)  2
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS
2
Ki = 398.11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 75 nM
2 IC50 = 7200 nM
3 Ki = 7600 nM
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 230 nM
   TI
   LI
   LO
   TS
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  3
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS
2
EC50 = 6309.57 nM
   TI
   LI
   LO
   TS
3
Ki = 19952.62 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3 Mus musculus (Mouse)  2
1
EC50 = 8900 nM
   TI
   LI
   LO
   TS
2
ED50 = 1400 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 25200 nM
   TI
   LI
   LO
   TS
2
Ki = 4265.8 nM
   TI
   LI
   LO
   TS
3
Ki = 69183.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 360 nM
2 Ki = 4300 nM
Clinical Information about the Compound
Drug 1 ( Carbachol )
Drug Name Carbachol
Company Norvatis Phamaceuticals Corporation
Indication
Glaucoma/ocular hypertension
Approved