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

CHEMBL527875

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
CCCCC(CC)C(=O)OCC1(CO)C/C(=C\c2ccc(F)c(Br)c2)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL527875
Phase Preclinical
Structure Type MOL
InChI Key GBNWUXWRPWEVDL-CXUHLZMHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

457.3
MW (Da)
4.41
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26BrFO5
MW 457.34
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.42

Activity Summary

Ki 2 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2567
 Ki 8.68 8.445 2.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 2.07 nM 8.68 Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting 18698758
Protein kinase C alpha type Ki = 6.1 nM 8.21 Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting 18698758

Literature References

PubMed DOI Target Context # Activities
18698758 10.1021/jm8001907 CHO 4
18698758 10.1021/jm8001907 Protein kinase C alpha type 2
18698758 10.1021/jm8001907 MCF-10A 1

Data from ChEMBL 36 via Core Engine