Details of the Drug

General Information of Drug (ID: DM0MTP8)

Drug Name
CN-105
Synonyms
5-Nitroisoquinoline; 607-32-9; Isoquinoline, 5-nitro-; 5-Nitro-isoquinoline; MLS002637661; PYGMPFQCCWBTJQ-UHFFFAOYSA-N; 5-nitroisochinolin; EINECS 210-133-8; 5-nitro isoquinoline; PubChem6272; AI3-61887; Maybridge1_001820; ACMC-1AV1Q; AC1Q1X2S; 5-Nitroisoquinoline, 98%; Oprea1_032003; SCHEMBL1010663; AC1Q201M; AC1L2B31; CHEMBL353253; PYGMPFQCCWBTJQ-UHFFFAOYSA-; KS-00000DJC; CTK2F2846; ZINC93213; HMS546K16; DTXSID00209511; NSC3017; MolPort-001-761-771; HMS3078A13; ACT09900; ALBB-021274; NSC-3017; ANW-33564; SBB066313; MFCD00006905
Indication
Disease Entry ICD 11 Status REF
Nontraumatic intracerebral hemorrhage 8B00.4 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 174.16
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H6N2O2
IUPAC Name
5-nitroisoquinoline
Canonical SMILES
C1=CC2=C(C=CN=C2)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H
InChIKey
PYGMPFQCCWBTJQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
69085
CAS Number
607-32-9
UNII
W525NLS74J
DrugBank ID
DB18345
TTD ID
D0V6OZ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Apolipoprotein E (APOE) TTKS9CB APOE_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)