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

CHEMBL306373

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]1COCCC[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 CHEMBL306373
Phase Preclinical
Structure Type MOL
InChI Key FYHDYXSOJZTOJN-XMSQKQJNSA-N
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

551.5
MW (Da)
2.57
ALogP
10
HBA
6
HBD
199.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25NO11
MW 551.50
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.43

Activity Summary

IC50 8 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C eta type
CHEMBL3616
 IC50 8.0 8.0 10.0 1
Protein kinase C delta type
CHEMBL2996
 IC50 7.05 7.05 90.0 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
 IC50 6.35 6.35 450.0 1
Protein kinase C gamma type
CHEMBL2938
 IC50 6.0 6.0 1000.0 1
Protein kinase C beta type
CHEMBL3045
 IC50 5.6 5.54 2500.0 2
Protein kinase C alpha type
CHEMBL299
 IC50 5.17 5.17 6700.0 1
Protein kinase C epsilon type
CHEMBL3582
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C eta type IC50 = 10.0 nM 8.0 Inhibitory concentration against recombinant human Protein kinase C eta isozyme 9003521
Protein kinase C delta type IC50 = 90.0 nM 7.05 Inhibitory concentration against recombinant human Protein kinase C delta isozym... 9003521
cAMP-dependent protein kinase catalytic subunit alpha IC50 = 450.0 nM 6.35 Inhibitory concentration against recombinant human cAMP-dependent Protein kinase... 9003521
Protein kinase C gamma type IC50 = 1000.0 nM 6.0 Inhibitory concentration against recombinant human Protein kinase C gamma isozym... 9003521
Protein kinase C beta type IC50 = 2500.0 nM 5.6 Inhibitory concentration against recombinant human Protein kinase C beta 1 isozy... 9003521
Protein kinase C beta type IC50 = 3300.0 nM 5.48 Inhibitory concentration against recombinant human Protein kinase C beta 2 isozy... 9003521
Protein kinase C alpha type IC50 = 6700.0 nM 5.17 Inhibitory concentration against recombinant human Protein kinase C alpha isozym... 9003521
Protein kinase C epsilon type IC50 = 16000.0 nM 4.8 Inhibitory concentration against recombinant human Protein kinase C epsilon isoz... 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