Details of the Drug

General Information of Drug (ID: DMHNSXP)

Drug Name
4-chloro-1H-indazole
Synonyms
4-Chloro-1H-indazole; 13096-96-3; 4-CHLOROINDAZOLE; 1H-Indazole, 4-chloro-; 4-Chloro-2H-indazole; NSC694315; 4-CHLORO(1H)INDAZOLE; CHEMBL246533; MFCD00211065; 4-Chloro-1H-indazole, AldrichCPR; 4-chloro-indazole; zlchem 748; NSC 694315; PubChem21945; AC1Q3RSH; ACMC-1BUW0; AC1L95AW; SCHEMBL476854; 4-Chloro-1H-indazole, 97%; 4-CHLORO (1H)INDAZOLE; CTK0H7106; DTXSID40156818; ZLD0205; CQTGQYVQJOJQCM-UHFFFAOYSA-N; MolPort-001-767-756; 4-CHLORO-3-(1H)INDAZOLE; ACT06078; BCP27008; ZINC5543816; KS-00000O0T; CS-M0440; STL556259; SBB054691; QC-206
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 152.58
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C7H5ClN2
IUPAC Name
4-chloro-1H-indazole
Canonical SMILES
C1=CC2=C(C=NN2)C(=C1)Cl
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
CQTGQYVQJOJQCM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
393037
CAS Number
13096-96-3
TTD ID
D07GEN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nitric-oxide synthase brain (NOS1) DTT NOS1 5.20E-01 0.02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3177-80.