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Compound Detail

CHEMBL1172974

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COc1cc(/C=C/c2ccc(Cl)cc2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172974
Phase Preclinical
Structure Type MOL
InChI Key VPHHOTWBLKKBBT-ONEGZZNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

274.8
MW (Da)
4.53
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClO2
MW 274.75
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
37852423 10.1016/j.bmcl.2023.129527 RAW264.7 4
20558073 10.1016/j.bmc.2010.05.042 Aromatase 2
20627379 10.1016/j.ejmech.2010.05.019 HT-29 1
20627379 10.1016/j.ejmech.2010.05.019 Caco-2 1
27426305 10.1016/j.bmcl.2016.07.018 No relevant target 1

Data from ChEMBL 36 via Core Engine