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

CHEMBL5934332

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
CC(C)(C)c1cccc(-c2cc3cc(/C=C/C(=O)O)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5934332
Phase Preclinical
Structure Type MOL
InChI Key VEHXAGUYCZGFMR-CSKARUKUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
5.23
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO2
MW 319.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.47

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 26B1
CHEMBL3713687
 IC50 6.7 6.7 200.0 1
Cytochrome P450 26A1
CHEMBL5141
 IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 26B1 IC50 = 200.0 nM 6.7 Inhibitory Activities Assay: CYP26 inhibitory activities of various compounds. -
Cytochrome P450 26A1 IC50 = 7000.0 nM 5.16 Inhibitory Activities Assay: CYP26 inhibitory activities of various compounds. -

Data from ChEMBL 36 via Core Engine