Details of the Drug

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

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.