Details of the Drug

General Information of Drug (ID: DMKRG0I)

Drug Name

VNA-932

Synonyms

WAY-VNA-932; [2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)phenyl](10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-y-)methanone; 10-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

402.9

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C23H19ClN4O
IUPAC Name: [2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Canonical SMILES: CC1=NN(C=C1)C2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl
InChI: InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
InChIKey: JXKQHDZUZGKDGO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5311500
CAS Number: 220460-92-4
TTD ID: D03RYS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vasopressin V2 receptor (V2R)	TTK8R02	V2R_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3537).
2	Biased Agonist Pharmacochaperones of the AVP V2 Receptor May Treat Congenital Nephrogenic Diabetes Insipidus. J Am Soc Nephrol. 2009 October; 20(10): 2190-2203.