General Information of Drug (ID: DMTIY89)

Drug Name
4-Ethyl-2-(4-hydroxy-phenyl)-quinolin-6-ol
Synonyms 4-ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.31
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H15NO2
IUPAC Name
4-ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
Canonical SMILES
CCC1=CC(=NC2=C1C=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H15NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h3-10,19-20H,2H2,1H3
InChIKey
JHGHNHLKUJDBRE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135430317
TTD ID
D09FWS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [1]
Estrogen-related receptor-alpha (ESRRA) TTPNQAC ERR1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ERbeta ligands. Part 4: Synthesis and structure-activity relationships of a series of 2-phenylquinoline derivatives. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4520-5.
2 ERbeta ligands. Part 6: 6H-Chromeno[4,3-b]quinolines as a new series of estrogen receptor beta-selective ligands. Bioorg Med Chem Lett. 2007 Jul 15;17(14):4053-6.