Details of the Drug

General Information of Drug (ID: DMPEJ4O)

Drug Name

A-204176

Indication

Disease Entry	ICD 11	Status	REF
Stress urinary incontinence	MF50.20	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

291.37

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H17N3O2S
IUPAC Name: N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Canonical SMILES: CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3
InChI: InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
InChIKey: FTWWLMPVXHMPNP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Stress urinary incontinence

ICD Disease Classification

MF50.20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

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 800013646)
2	Pharmacological properties of A-204176, a novel and selective alpha1A adrenergic agonist, in in vitro and in vivo models of urethral function. Life Sci. 2001 Nov 30;70(2):181-97.