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Compound Detail

CHEMBL5997757

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CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

Basic Information

ChEMBL ID CHEMBL5997757
Phase Preclinical
Structure Type MOL
InChI Key FOIVPCKZDPCJJY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
6.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H28O2
MW 348.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.37

Activity Summary

EC50 3 meas. best 10.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor gamma
CHEMBL2003
EC50 10.19 10.19 0.1 1
Retinoic acid receptor beta
CHEMBL2008
EC50 9.52 9.52 0.3 1
Retinoic acid receptor alpha
CHEMBL2055
EC50 8.26 8.26 5.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine