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Compound Detail

CHEMBL356326

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COc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C1(C)CCCCC1

Basic Information

ChEMBL ID CHEMBL356326
Phase Preclinical
Structure Type MOL
InChI Key QANMIASYTMOQAE-BMRADRMJSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
6.18
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O3
MW 364.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.33

Activity Summary

Ki 3 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
Ki 7.77 7.77 17.0 1
Retinoic acid receptor gamma
CHEMBL2003
Ki 7.54 7.54 29.0 1
Retinoic acid receptor alpha
CHEMBL2055
Ki 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8544175 10.1021/jm00026a006 Retinoic acid receptor alpha 1
8544175 10.1021/jm00026a006 Retinoic acid receptor beta 1
8544175 10.1021/jm00026a006 Retinoic acid receptor gamma 1
8544175 10.1021/jm00026a006 F9 1

Data from ChEMBL 36 via Core Engine