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Compound Detail

CHEMBL92926

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C/C(=C\c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

Basic Information

ChEMBL ID CHEMBL92926
Phase Preclinical
Structure Type MOL
InChI Key GAZWXMUOJOGOHH-RVDMUPIBSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
6.00
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO2
MW 363.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.09

Activity Summary

EC50 4 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
EC50 7.68 7.68 21.0 1
Retinoic acid receptor RXR-alpha
CHEMBL2061
EC50 6.98 6.98 105.0 1
Retinoic acid receptor gamma
CHEMBL2003
EC50 6.43 6.43 374.0 1
Retinoic acid receptor alpha
CHEMBL2055
EC50 5.57 5.57 2690.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7636843 10.1021/jm00015a004 Retinoic acid receptor alpha 1
7636843 10.1021/jm00015a004 Retinoic acid receptor beta 1
7636843 10.1021/jm00015a004 Retinoic acid receptor gamma 1
7636843 10.1021/jm00015a004 Retinoic acid receptor RXR-alpha 1

Data from ChEMBL 36 via Core Engine