Details of the Drug

General Information of Drug (ID: DMA57O4)

Drug Name
Ambasilide
Synonyms LU-47110
Indication
Disease Entry ICD 11 Status REF
Cardiac arrhythmias BC9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 335.4
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H25N3O
IUPAC Name
(4-aminophenyl)-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Canonical SMILES
C1C2CN(CC1CN(C2)C(=O)C3=CC=C(C=C3)N)CC4=CC=CC=C4
InChI
InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2
InChIKey
DLNAKYFPFYUBDR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71270
CAS Number
83991-25-7
TTD ID
D0ZF1D
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
Potassium channel unspecific (KC) TT1VOHK NOUNIPROTAC Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 800001764)
2 Ambasilide prolongs the action potential and blocks multiple potassium currents in human atrium. J Cardiovasc Pharmacol. 1999 May;33(5):762-71.