Details of the Drug

General Information of Drug (ID: DMO1N8A)

• Drug Name: SRX-251
• Synonyms: AVN-246; SRX-108; SRX-31; SRX-74; Vasopressin V1a antagonist (Raynauds disease/dysmenorrhea), Azevan Pharmaceuticals; Vasopressin V1a antagonist (psychiatric disorders/dysmenorrhea), Azevan

Indication

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

• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 771.9
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C43H48F3N5O5
  IUPAC Name: (2R)-N-methyl-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
  Canonical SMILES: CN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3)N4[C@@H]([C@@H](C4=O)N5[C@H](COC5=O)C6=CC=CC=C6)/C=C/C7=CC=CC=C7
  InChI: InChI=1S/C43H48F3N5O5/c1-47(28-31-14-11-17-33(26-31)43(44,45)46)40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(29-56-42(51)55)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,34-37,39H,4,9-10,20-25,27-29H2,1H3/b19-18+/t35-,36-,37-,39+/m1/s1
  InChIKey: GOQPVIZMGXUXOL-GRLAPFOSSA-N
• Cross-matching ID:
  PubChem CID: 11686429
  ChEBI ID: CHEMBL279328
  TTD ID: D0PB0D
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800025117)
• [2] Orally active vasopressin V1a receptor antagonist, SRX251, selectively blocks aggressive behavior. Pharmacol Biochem Behav. 2006 Feb;83(2):169-74.