Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL151672

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1=C(C#Cc2ccc3cc(C(=O)O)ccc3c2)C(C)(C)CCC1

Basic Information

ChEMBL ID CHEMBL151672
Phase Preclinical
Structure Type MOL
InChI Key CLVSDTWUASDNAN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
5.42
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.71
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22O2
MW 318.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.38

Activity Summary

EC50 2 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Retinoic acid receptor beta
CHEMBL2008
EC50 6.45 6.24 355.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor beta 2
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor alpha 1
- 10.1016/0960-894X(95)00065-2 Retinoic acid receptor RXR-alpha 1
- 10.1016/0960-894X(95)00065-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine