Details of the Drug

General Information of Drug (ID: DMZ402C)

• Drug Name: L-768673
• Synonyms: L-768673; CHEMBL16900; SCHEMBL7207125; BDBM50061209; LS-28521; l-768,673
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 587.4
  Logarithm of the Partition Coefficient (xlogp); 6.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C27H18F9N3O2
  IUPAC Name: 2-[2,4-bis(trifluoromethyl)phenyl]-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]acetamide
  Canonical SMILES: C1=CC=C(C=C1)C2=N[C@H](C(=O)N(C3=CC=CC=C32)CC(F)(F)F)NC(=O)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F
  InChI: InChI=1S/C27H18F9N3O2/c28-25(29,30)14-39-20-9-5-4-8-18(20)22(15-6-2-1-3-7-15)38-23(24(39)41)37-21(40)12-16-10-11-17(26(31,32)33)13-19(16)27(34,35)36/h1-11,13,23H,12,14H2,(H,37,40)/t23-/m1/s1
  InChIKey: VVCYJFVTVHMTBV-HSZRJFAPSA-N
• Cross-matching ID:
  PubChem CID: 9851380
  CAS Number: 177954-68-6
  TTD ID: D03OFO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv7.1 (KCNQ1)	TT846HF	KCNQ1_HUMAN	Inhibitor	[1]

References

• [1] Class III antiarrhythmic activity in vivo by selective blockade of the slowly activating cardiac delayed rectifier potassium current IKs by (R)-2-(... J Med Chem. 1997 Nov 21;40(24):3865-8.