Details of the Drug

General Information of Drug (ID: DMAYWXD)

• Drug Name: VA-111913
• Synonyms: VA-111913 TS; VA-913; VT-913; V1a antagonists (dysmenorrhea), Vantia; Vasopressin 1a antagonists (dysmenorrhea), Vantia/Ferring

Indication

Disease Entry	ICD 11	Status	REF
Dysmenorrhea	GA34.3	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 453.9
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H21ClFN5O2
  IUPAC Name: N-[[4-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)-2-fluorophenyl]methyl]cyclopropanecarboxamide
  Canonical SMILES: CN1C2=C(CN(C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC(=C(C=C4)CNC(=O)C5CC5)F)C=N1
  InChI: InChI=1S/C23H21ClFN5O2/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31)
  InChIKey: VOEZSPDOPDPGSY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 135564707
  CAS Number: 877856-17-2
  TTD ID: D00LSW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vasopressin V1a receptor (V1AR)	TT4TFGN	V1AR_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Dysmenorrhea
• ICD Disease Classification: GA34.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vasopressin V1a receptor (V1AR)	DTT	AVPR1A	8.89E-04	-0.12	-0.34

References

• [1] ClinicalTrials.gov (NCT00963053) VA111913 Dysmenorrhoea Efficacy and Safety Proof of Concept. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Avarx.