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Compound Detail

CHEMBL5185073

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OC(/C=C/c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185073
Phase Preclinical
Structure Type MOL
InChI Key ORACYDGVNJGDMI-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
3.43
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14O
MW 210.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
36356534 10.1016/j.bmc.2022.117072 Unchecked 6
36356534 10.1016/j.bmc.2022.117072 HCT-116 2
36356534 10.1016/j.bmc.2022.117072 DLD-1 1
36356534 10.1016/j.bmc.2022.117072 HT-29 1
36356534 10.1016/j.bmc.2022.117072 FHC 1

Data from ChEMBL 36 via Core Engine