Details of the Drug

General Information of Drug (ID: DMEJNUG)

Drug Name
PMID25399762-Compound-Table1-C5
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 287.7
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H10ClN3O2
IUPAC Name
N-(3-chloro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
Canonical SMILES
C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)O)Cl)C=NN2
InChI
InChI=1S/C14H10ClN3O2/c15-11-6-10(2-4-13(11)19)17-14(20)8-1-3-12-9(5-8)7-16-18-12/h1-7,19H,(H,16,18)(H,17,20)
InChIKey
VNFLUMWXDOMPIE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
77844660
TTD ID
D06BFA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.