Details of the Drug

General Information of Drug (ID: DM81D90)

Drug Name
4-bromo-1H-indazole
Synonyms
4-bromo-1H-indazole; 186407-74-9; 4-Bromoindazole; 1H-Indazole, 4-bromo-; 4-BROMO (1H)INDAZOLE; 4-Bromo(1H)indazole; CHEMBL246393; 4-bromo-indazole; bromo-1h-indazole; PubChem7834; 4-bromo-2H-indazole; ACMC-1BZDS; 4-bromanyl-1H-indazole; KSC173Q8P; 4-BROMO-7AH-INDAZOLE; SCHEMBL155255; 4-Bromo-1H-indazole, 95%; IND084; AC1Q24I6; Jsp003814; 4-bromo-1h-indazole, 97+%; SCHEMBL16799950; CTK0H3887; HID1021; DTXSID30625169; KJIODOACRIRBPB-UHFFFAOYSA-N; MolPort-022-450-748; MolPort-000-002-423; BCP00013; ACN-S003168; SBB054645; BDBM50209241
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) 197.03
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
C7H5BrN2
IUPAC Name
4-bromo-1H-indazole
Canonical SMILES
C1=CC2=C(C=NN2)C(=C1)Br
InChI
InChI=1S/C7H5BrN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
KJIODOACRIRBPB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
22352548
CAS Number
186407-74-9
TTD ID
D0D4US

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.