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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL16900
CAS Number
177954-68-6
TTD ID
D03OFO
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.