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

CHEMBL262980

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
O=C(N[C@@H]1CC(C(=O)C(F)(F)F)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262980
Phase Preclinical
Structure Type MOL
InChI Key KLTAXINXABHYMC-XBDPRNKDSA-N
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

617.5
MW (Da)
3.30
ALogP
10
HBA
6
HBD
207.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22F3NO11
MW 617.49
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness 0.34

Activity Summary

IC50 8 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
 IC50 7.0 7.0 100.0 1
Protein kinase C epsilon type
CHEMBL3582
 IC50 6.6 6.6 250.0 1
Protein kinase C gamma type
CHEMBL2938
 IC50 6.58 6.58 260.0 1
Protein kinase C beta type
CHEMBL3045
 IC50 6.58 6.51 260.0 2
Protein kinase C alpha type
CHEMBL299
 IC50 6.37 6.37 430.0 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
 IC50 5.58 5.58 2600.0 1
Protein kinase C zeta type
CHEMBL3438
 IC50 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C delta type IC50 = 100.0 nM 7.0 Inhibitory concentration against recombinant human Protein kinase C delta isozym... 9003521
Protein kinase C epsilon type IC50 = 250.0 nM 6.6 Inhibitory concentration against recombinant human Protein kinase C epsilon isoz... 9003521
Protein kinase C beta type IC50 = 260.0 nM 6.58 Inhibitory concentration against recombinant human Protein kinase C beta 2 isozy... 9003521
Protein kinase C gamma type IC50 = 260.0 nM 6.58 Inhibitory concentration against recombinant human Protein kinase C gamma isozym... 9003521
Protein kinase C beta type IC50 = 360.0 nM 6.44 Inhibitory concentration against recombinant human Protein kinase C beta 1 isozy... 9003521
Protein kinase C alpha type IC50 = 430.0 nM 6.37 Inhibitory concentration against recombinant human Protein kinase C alpha isozym... 9003521
cAMP-dependent protein kinase catalytic subunit alpha IC50 = 2600.0 nM 5.58 Inhibitory concentration against recombinant human cAMP-dependent Protein kinase... 9003521
Protein kinase C zeta type IC50 = 56000.0 nM 4.25 Inhibitory concentration against recombinant human Protein kinase C zeta isozyme 9003521

Literature References

PubMed DOI Target Context # Activities
9003521 10.1021/jm960497g Protein kinase C beta type 2
9003521 10.1021/jm960497g Protein kinase C alpha type 1
9003521 10.1021/jm960497g Protein kinase C gamma type 1
9003521 10.1021/jm960497g Protein kinase C delta type 1
9003521 10.1021/jm960497g Protein kinase C epsilon type 1
9003521 10.1021/jm960497g Protein kinase C eta type 1
9003521 10.1021/jm960497g Protein kinase C zeta type 1
9003521 10.1021/jm960497g cAMP-dependent protein kinase catalytic subunit alpha 1

Data from ChEMBL 36 via Core Engine