General
Preferred name
meta-chlorphenylbiguanide
Synonyms
1-(m-Chlorophenyl)-biguanide hydrochloride ()
m-Chlorophenylbiguanide hydrochloride ()
1-(3-CHLOROPHENYL)BIGUANIDE HYDROCHLORIDE ()
m-CPBG (hydrochloride) ()
1-(3-Chlorophenyl)biguanide (hydrochloride) ()
1-carbamimidamido-N-(3-chlorophenyl)methanimidamide ()
[3H]meta-chlorophenylbiguanide ()
P&D ID
PD047050
CAS
2113-05-5
48144-44-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION m-Chlorophenylbiguanide hydrochloride is a 5-HT3 receptor agonist. m-Chlorophenylbiguanide hydrochloride selectively binds 5-HT3(Ki: 0.002 ??M) over 5-HT1A(Ki: 10 ??M) and 5-HT2(Ki: 10 ??M) receptors but also binds to high and low affinity sites on the dopamine transporter(DAT; IC50s: 0.4 and 34.8 ??M, respectively, in rat caudate putamen synaptosomal membranes).
DESCRIPTION 5-HT3 serotonergic receptor agonist (LOPAC library)
DESCRIPTION Potent and specific 5-HT3 agonist (Tocriscreen Total)
DESCRIPTION Positive allosteric modulator of benzodiazepine site (Tocris Bioactive Compound Library)
DESCRIPTION m-Chlorophenylbiguanide hydrochloride is the hydrochloride salt of chlorophenylbiguanide, which is a selective and prototypical potent 5-HT3 serotonin receptor agonist. (BOC Sciences Bioactive Compounds)
DESCRIPTION Binding affinity towards 5-hydroxytryptamine 3 receptor (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
19
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugMAP
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LOPAC library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
External IDs
49
Properties
(calculated by RDKit )
Molecular Weight
211.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.56
TPSA
102.78
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
5-HT3
Primary Target
5-HT3 Receptors
MOA
Agonist
5-HT3 receptor agonist
serotonin receptor agonist
Member status
member
Target
HTR3A, HTR3B
5-HT Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data