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]
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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
TTD ID: D0V6OZ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)