General Information of the Compound
Compound ID
CP0010154
Compound Name
1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE
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Synonyms
1-(3-chlorophenyl)biguanide
1-(3-Chlorophenyl)biguanide
1-(m-Chlorophenyl)biguanide
1-carbamimidamido-N-(3-chlorophenyl)methanimidamide
2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine
3-Chloro-Phenyl biguanide
3-chlorophenyl-biguanide
48144-44-1
910A4X901V
C8H10ClN5
CHEBI:32347
CHEMBL13790
Imidodicarbonimidic diamide, N-(3-chlorophenyl)-
Imidodicarbonimidicdiamide, N-(3-chlorophenyl)-
M-Chlorophenylbiguanidine
N-(3-Chlorophenyl)imidodicarbonimidic diamide
N-(3-chlorophenyl)-N'-(diaminomethylene)guanidine
UNII-910A4X901V
[3H]meta-chlorophenylbiguanide
m-Chlorophenylbiguanide
m-chlorophenylbiguanide
mCPBG
meta-chlorphenylbiguanide
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Structure
Formula
C8H10ClN5
Molecular Weight
211.656
Canonical SMILES
NC(N)=NC(N)=Nc1cccc(Cl)c1
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InChI
InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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InChIKey
DIHXJZHAIHGSAW-UHFFFAOYSA-N
Physicochemical Property
logP
0.5596
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
102.78
Hydrogen Bond Donor Count
3
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: 1354
SID: 15220229
ChEMBL ID
CHEMBL13790
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: PT06391, Trace amine-associated receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( meta-chlorphenylbiguanide )
Drug Name meta-chlorphenylbiguanide
Target(s)
5-HT 3A receptor (HTR3A)
 Target Info 
Agonist