General Information of the Compound
Compound ID
CP0041905
Compound Name
2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2)
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Synonyms
Adesipress
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-(9CI)
2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE
2,6-Dichloro-N-2-imidazolidinylidenebenzenamine
2,6-dichloro-N-(2-imidazolidinylidene)aniline
2,6-dichloro-N-2-imidazolidinylidenebenzenamide
2,6-dichloro-N-imidazolidin-2-ylideneaniline
2-((2,6-Dichlorophenyl)imino)imidazolidine
2-(2,6-Dichloroanilino)-1,3-diazacyclopentene-(2);2-(2,6-Dichloroanilino)-2-imidazoline
2-(2,6-Dichloroanilino)-2-imidazoline
2-(2,6-Dichlorophenylamino)-2-imidazoline
2-(2,6-Dichlorophenylimino)imidazolidine
2-Imidazoline, 2-(2,6-dichloroanilino)-(7CI,8CI)
2-[(2,6-Dichlorophenyl)imino]imidazoline
2-[(2,6-dichlorophenyl)imino]-2-imidazoline
4205-90-7
734571A
Adesipress
CATAPRES-TTS-1
CATAPRES-TTS-2
CATAPRES-TTS-3
CLORPRES
Catapres
Catapres (TN)
Catapres- TTS
Catapres-TTS
Catapresan
Catapressan
Catarpres
Catarpres-TTS
Catarpres-TTS (TN)
Catarpresan
Chlornidinum
Clofenil
Clonidin
Clonidina
Clonidina [INN-Spanish]
Clonidine
Clonidine (JAN/USAN/INN)
Clonidine [USAN:BAN:INN]
Clonidinhydrochlorid
Clonidinum
Clonidinum [INN-Latin]
Clopheline
Dixarit
Duraclon
Duraclont
Gemiton
Hemiton
Isoglaucon
Klofelin
Klofenil
M 5041T
M-5041T
N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SKF 34427
ST 155BS
ST-155-BS
ST-155BS
Tenso-Timelets
clonidine
clonidine (amino form)
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Structure
Formula
C9H9Cl2N3
Molecular Weight
230.098
Canonical SMILES
Clc1cccc(Cl)c1N=C1NCCN1
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InChI
InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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InChIKey
GJSURZIOUXUGAL-UHFFFAOYSA-N
CAS
4205-90-7
Physicochemical Property
logP
2.1737
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
36.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 2803
SID: 14822899
ChEMBL ID
CHEMBL134
DrugBank ID
DB00575
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 3235.94 nM
   TI
   LI
   LO
   TS
Protein ID: PT02060, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 89 nM
   TI
   LI
   LO
   TS
Protein ID: PT00644, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 83 nM
   TI
   LI
   LO
   TS
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  4
1
EC50 = 8.318 nM
   TI
   LI
   LO
   TS
2
EC50 = 28 nM
   TI
   LI
   LO
   TS
3
Ki = 3.8 nM
   TI
   LI
   LO
   TS
4
Ki = 8.71 nM
   TI
   LI
   LO
   TS
CL000028 PC-12 Homo sapiens (Human)  1
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  3
1
EC50 = 30 nM
   TI
   LI
   LO
   TS
2
EC50 = 30.2 nM
   TI
   LI
   LO
   TS
3
Ki = 28 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3.8 nM
2 Ki = 7.943 nM
3 Ki = 853 nM
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1174.9 nM
   TI
   LI
   LO
   TS
2
Ki = 31.62 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.166 nM
Protein ID: PT03109, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 8.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8.3 nM
2 Ki = 160 nM
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000028 PC-12 Homo sapiens (Human)  1
1
EC50 = 56 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 57.54 nM
   TI
   LI
   LO
   TS
2
Ki = 9.333 nM
   TI
   LI
   LO
   TS
3
Ki = 30 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 30 nM
2 Ki = 56.23 nM
3 Ki = 160 nM
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 33300 nM
   TI
   LI
   LO
   TS
Protein ID: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  4
1
Ki = 14.1 nM
   TI
   LI
   LO
   TS
2
Ki = 112.2 nM
   TI
   LI
   LO
   TS
3
Ki = 125.89 nM
   TI
   LI
   LO
   TS
4
Ki = 281.84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 366.2 nM
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 18980 nM
   TI
   LI
   LO
   TS
2
IC50 = 22600 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 550 nM
   TI
   LI
   LO
   TS
Protein ID: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Clonidine )
Drug Name Clonidine
Company Intas Pharmaceuticals
Indication
Hypertension
Approved
Diabetic neuropathy
Phase 3
Target(s)
Membrane copper amine oxidase (AOC3)
Inhibitor