General Information of the Compound
Compound ID
CP0673968
Compound Name
SID50106181
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Synonyms
1952-15-4 (iodide)
4-DAMP
4-DAMP(1+)
4-Damp methobromide
4-Diphenylacetoxy-1,1-dimethylpiperidinium
4-[(diphenylacetyl)oxy]-1,1-dimethylpiperidinium
81405-11-0
AC1L1C4C
AC1Q60WY
BDBM50176065
C21H26NO2
CCG-204500
CHEBI:73467
CHEMBL168067
CHEMBL76897
CTK3E9884
DTXSID70231086
GTPL307
LS-177624
Lopac-D-104
Lopac0_000407
N,N-dimethyl-4-(diphenylacetoxy)piperidinium
NCGC00015304-01
NCGC00015304-02
NCGC00015304-03
NCGC00015304-04
NCGC00024611-01
NCGC00024611-02
NCGC00163244-01
SCHEMBL2730650
Tocris-0482
ZINC2555356
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Structure
Formula
C21H26INO2
Molecular Weight
451.348
Canonical SMILES
C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[I-]
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InChI
InChI=1S/C21H26NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-20H,13-16H2,1-2H3;1H/q+1;/p-1
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InChIKey
WWJHRSCUAQPFQO-UHFFFAOYSA-M
CAS
1952-15-4
81405-11-0
Physicochemical Property
logP
0.6045
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 3014059
ChEMBL ID
CHEMBL76897
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: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 4.5 nM
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 55 nM
   TI
   LI
   LO
   TS
2
Ki = 23 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  5
1
IC50 = 0.31 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.41 nM
   TI
   LI
   LO
   TS
3
Ki = 0.22 nM
   TI
   LI
   LO
   TS
4
Ki = 0.44 nM
   TI
   LI
   LO
   TS
5
Ki = 0.68 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 5.1 nM
   TI
   LI
   LO
   TS
2
Ki = 2.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.43 nM
2 IC50 = 0.56 nM
3 IC50 = 0.59 nM
4 IC50 = 1.9 nM
5 IC50 = 2.6 nM
6 Ki = 0.4 nM
7 Ki = 0.42 nM
8 Ki = 0.4467 nM
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.49 nM
   TI
   LI
   LO
   TS
2
Ki = 0.88 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.61 nM
2 IC50 = 0.83 nM
3 IC50 = 1.1 nM
4 IC50 = 1.9 nM
5 Ki = 0.37 nM
6 Ki = 0.66 nM
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000047 108CC15 Mus musculus (Mouse)--NCBI_TaxID=10116;  1
1
Ki = 0.5129 nM
   TI
   LI
   LO
   TS
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.32 nM
   TI
   LI
   LO
   TS
2
Ki = 0.48 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.45 nM
2 IC50 = 0.8 nM
3 IC50 = 0.83 nM
4 Ki = 0.22 nM
5 Ki = 0.42 nM
Clinical Information about the Compound
Drug 1 ( 4-DAMP )
Drug Name 4-DAMP
Target(s)
Muscarinic acetylcholine receptor M3 (CHRM3)
Antagonist