General Information of Drug (ID: DMP0DQE)

Drug Name
3-(3-hydroxyphenyl)quinolin-7-ol
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) 237.25
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C15H11NO2
IUPAC Name
3-(3-hydroxyphenyl)quinolin-7-ol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CN=C3C=C(C=CC3=C2)O
InChI
InChI=1S/C15H11NO2/c17-13-3-1-2-10(7-13)12-6-11-4-5-14(18)8-15(11)16-9-12/h1-9,17-18H
InChIKey
DQXYHOHBSRRAIV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135783365
TTD ID
D06NDT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) TTIWB6L DHB1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors... J Med Chem. 2008 Apr 10;51(7):2158-69.