Details of the Drug

General Information of Drug (ID: DMFBNA3)

Drug Name
Nicaraven
Synonyms AVS; Antevan; Antevas
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular disease 8B2Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.31
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H16N4O2
IUPAC Name
N-[2-(pyridine-3-carbonylamino)propyl]pyridine-3-carboxamide
Canonical SMILES
CC(CNC(=O)C1=CN=CC=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H16N4O2/c1-11(19-15(21)13-5-3-7-17-10-13)8-18-14(20)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,20)(H,19,21)
InChIKey
KTXBOOWDLPUROC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71234
CAS Number
79455-30-4
DrugBank ID
DB06397
TTD ID
D0Z2UW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Poly [ADP-ribose] polymerase 1 (PARP1) TTVDSZ0 PARP1_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cerebrovascular disease
ICD Disease Classification 8B2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Poly [ADP-ribose] polymerase 1 (PARP1) DTT PARP1 5.01E-05 1.02 2.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Inhibition of poly (ADP-ribose) polymerase as a protective effect of nicaraven in ionizing radiation- and ara-C-induced cell death. Anticancer Res. 2006 Sep-Oct;26(5A):3421-7.