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Compound Detail

CHEMBL1170913

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O=C1/C(=C/c2ccccc2)Oc2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1170913
Phase Preclinical
Structure Type MOL
InChI Key SHURXQGYCUNAOB-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
3.01
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10O3
MW 238.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
20392544 10.1016/j.ejmech.2010.03.023 NAD(P)H dehydrogenase [quinone] 1 2
20974505 10.1016/j.ejmech.2010.09.061 ADMET 2
20392544 10.1016/j.ejmech.2010.03.023 Aryl hydrocarbon receptor 1
20392544 10.1016/j.ejmech.2010.03.023 ADMET 1
20974505 10.1016/j.ejmech.2010.09.061 HUVEC 1
20974505 10.1016/j.ejmech.2010.09.061 MCF7 1
20974505 10.1016/j.ejmech.2010.09.061 A549 1

Data from ChEMBL 36 via Core Engine