Details of the Drug

General Information of Drug (ID: DM51FVE)

Drug Name

Zamifenacin

Synonyms

Zamifenacin; 127308-82-1; UNII-Y88Q418Y7M; Y88Q418Y7M; Zamifenacin [INN]; 127263-13-2; AC1MJ6I5; DSSTox_RID_82215; DSSTox_CID_27257; DSSTox_GSID_47257; SCHEMBL311829; CHEMBL27507; DTXSID9047257; UK-766542 [As Fumarate]; CHEBI:93417; ZINC3802222; BCP28100; Tox21_300210; AKOS022182209; SB19711; API0007427; UK-76654-2 [AS FUMARATE]; NCGC00247932-01; NCGC00254011-01; AJ-45652; CAS-127308-82-1; BRD-K80451230-051-01-8; (R)-3-(Diphenylmethoxy)-1-(3,4-(methylenedioxy)phenetyl)piperidene

Indication

Disease Entry	ICD 11	Status	REF
Urinary incontinence	MF50.2	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

415.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C27H29NO3
IUPAC Name: (3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
Canonical SMILES: C1C[C@H](CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2/t24-/m1/s1
InChIKey: BDNFQGRSKSQXRI-XMMPIXPASA-N

Cross-matching ID

PubChem CID: 3086618
ChEBI ID: CHEBI:93417
CAS Number: 127308-82-1
TTD ID: D04SBH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M3 (CHRM3)	TTQ13Z5	ACM3_HUMAN	Antagonist	[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
Muscarinic acetylcholine receptor M3 (CHRM3)	DTT	CHRM3	4.61E-07	-0.59	-0.73

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003650)
2	Drug treatment options for irritable bowel syndrome: managing for success. Drugs Aging. 2001;18(3):201-11.