General Information of Drug (ID: DMJYI0P)

Drug Name
2-Pyridin-3-ylmethyl-1,2-dihydro-indazol-3-one
Synonyms 2-(3-Pyridylmethyl)indazolinone; ICI-207968; 120273-58-7; CHEMBL3144579; AC1L2UZT; CHEMBL8337; SCHEMBL9596545; DTXSID90152784; BDBM50008992; ZINC100091041; AKOS023543919; 3H-Indazol-3-one,; ICI 207968
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) 225.25
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H11N3O
IUPAC Name
2-(pyridin-3-ylmethyl)-1H-indazol-3-one
Canonical SMILES
C1=CC=C2C(=C1)C(=O)N(N2)CC3=CN=CC=C3
InChI
InChI=1S/C13H11N3O/c17-13-11-5-1-2-6-12(11)15-16(13)9-10-4-3-7-14-8-10/h1-8,15H,9H2
InChIKey
SKZAIZCDZYPCRF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
129095
CAS Number
120273-58-7
TTD ID
D0HZ9X

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_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
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Tumour necrosis factor production in a rat airpouch model of inflammation: role of eicosanoids. Agents Actions. 1991 Mar;32(3-4):289-94.