Details of the Drug

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
ChEBI ID
CHEMBL3144579
CAS Number
120273-58-7
TTD ID
D0HZ9X
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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]
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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
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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.