Details of the Drug

General Information of Drug (ID: DMXRZ6N)

• Drug Name: YM-35278
• Synonyms: YM-35278; CHEMBL506235

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 628.7
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C38H30F2N4O3
  IUPAC Name: N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
  Canonical SMILES: C1CN(C2=CC=CC=C2/C(=C/C(=O)NCC3=CC=CC=N3)/C1(F)F)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
  InChI: InChI=1S/C38H30F2N4O3/c39-38(40)21-23-44(34-16-7-6-15-32(34)33(38)24-35(45)42-25-29-12-8-9-22-41-29)37(47)27-17-19-28(20-18-27)43-36(46)31-14-5-4-13-30(31)26-10-2-1-3-11-26/h1-20,22,24H,21,23,25H2,(H,42,45)(H,43,46)/b33-24-
  InChIKey: OPEZXZINWZCBQD-GIBOGKFOSA-N
• Cross-matching ID:
  PubChem CID: 44520886
  TTD ID: D0KU5D

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	Inhibitor	[1]

References

• [1] Preparation of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetamide derivatives as novel arginine vasopressin V(2) receptor agonists. Bioorg Med Chem. 2008 Nov 1;16(21):9524-35.