General Information of Drug (ID: DMX3TZ7)

Drug Name
Hydroxyqunoline analog 2
Synonyms PMID25468267-Compound-42
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 189.17
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H7NO3
IUPAC Name
8-hydroxyquinoline-4-carboxylic acid
Canonical SMILES
C1=CC2=C(C=CN=C2C(=C1)O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)
InChIKey
KPTUKANGPPVLMD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
97394
CAS Number
55698-67-4
TTD ID
D03TPE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysine-specific demethylase 4E (KDM4E) TTWAQBO KDM4E_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.