Details of the Drug

General Information of Drug (ID: DMBX9C0)

Drug Name

GW-427353

Synonyms

UNII-GU14FR8D4A; GU14FR8D4A; GW427353B; Solabegron hydrochloride [USAN]; Solabegron hydrochloride (USAN); GW 427353B; Solabegron Hydrochloride; Solabegron HCl; SCHEMBL565177; CHEMBL2107299; PMXCGBVBIRYFPR-FTBISJDPSA-N; BCP28076; 3'-[(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino]biphenyl-3-carboxylic acid hydrochloride; D05879; (1,1'-Biphenyl)-3-carboxylic acid, 3'-((2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-, hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Urinary incontinence	MF50.2	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

410.9

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H23ClN2O3
IUPAC Name: 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)NCCNC[C@@H](C3=CC(=CC=C3)Cl)O
InChI: InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1
InChIKey: LLDXOPKUNJTIRF-QFIPXVFZSA-N

Cross-matching ID

PubChem CID: 9887812
ChEBI ID: CHEBI:141346
CAS Number: 252920-94-8
UNII: 55P6YH9O6N
DrugBank ID: DB06190
TTD ID: D0A5EF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Urinary incontinence

ICD Disease Classification

MF50.2

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00394186) A Study To Investigate GW427353 In Subjects With Irritable Bowel Syndrome (IBS). U.S. National Institutes of Health.
2	Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.