Details of the Drug

General Information of Drug (ID: DMIMJNU)

Drug Name
N-(1H-indazol-5-yl)acetamide
Synonyms
N-(1H-indazol-5-yl)acetamide; 95574-27-9; CHEMBL503641; Acetamide, N-1H-indazol-5-yl-; 5-acetylaminoindazole; SCHEMBL2565558; XGVHKKOLBJMLLQ-UHFFFAOYSA-N; MolPort-020-329-884; ZINC20495645; BDBM50246684; AKOS008998989
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) 175.19
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H9N3O
IUPAC Name
N-(1H-indazol-5-yl)acetamide
Canonical SMILES
CC(=O)NC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKey
XGVHKKOLBJMLLQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17164245
TTD ID
D0J7YE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_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
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 New analgesics synthetically derived from the paracetamol metabolite N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide. J Med Chem. 2008 Dec 25;51(24):7800-5.