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

CHEMBL300422

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(OC1CNCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300422
Phase Preclinical
Structure Type MOL
InChI Key MKPSMRQVGPTYRL-UHFFFAOYSA-N
7
Targets
15
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

493.5
MW (Da)
2.43
ALogP
9
HBA
6
HBD
173.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO9
MW 493.47
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.87

Activity Summary

IC50 15 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C gamma type
CHEMBL2938
 IC50 8.3 7.85 5.0 2
Protein kinase C delta type
CHEMBL2996
 IC50 8.3 7.025 5.0 2
Protein kinase C beta type
CHEMBL3045
 IC50 8.0 7.76 10.0 4
Protein kinase C epsilon type
CHEMBL3582
 IC50 7.7 6.725 20.0 2
Protein kinase C eta type
CHEMBL3616
 IC50 7.7 6.535 20.0 2
Protein kinase C alpha type
CHEMBL299
 IC50 6.58 6.58 260.0 2
Unchecked
CHEMBL612545
 IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C gamma type IC50 = 5.0 nM 8.3 Evaluated against recombinant human Protein kinase C gamma 8978850
Protein kinase C delta type IC50 = 5.0 nM 8.3 Inhibition of protein kinase C delta -
Protein kinase C beta type IC50 = 10.0 nM 8.0 Evaluated against recombinant human Protein kinase C beta 1 8978850
Protein kinase C beta type IC50 = 10.0 nM 8.0 Inhibition of protein kinase C beta I -
Protein kinase C epsilon type IC50 = 20.0 nM 7.7 Evaluated against recombinant human Protein kinase C epsilon 8978850
Protein kinase C eta type IC50 = 20.0 nM 7.7 Inhibition of protein kinase C eta -
Protein kinase C beta type IC50 = 30.0 nM 7.52 Evaluated against recombinant human Protein kinase C beta 2 8978850
Protein kinase C beta type IC50 = 30.0 nM 7.52 Inhibition of protein kinase C beta II -
Protein kinase C gamma type IC50 = 40.0 nM 7.4 Inhibition of protein kinase C gamma -
Protein kinase C alpha type IC50 = 260.0 nM 6.58 Evaluated against recombinant human Protein kinase C alpha 8978850
Protein kinase C alpha type IC50 = 260.0 nM 6.58 Inhibition of protein kinase C alpha -
Unchecked IC50 = 320.0 nM 6.5 Inhibition of protein kinase A. -
Protein kinase C delta type IC50 = 1800.0 nM 5.75 Evaluated against recombinant human Protein kinase C delta 8978850
Protein kinase C epsilon type IC50 = 1800.0 nM 5.75 Inhibition of protein kinase C epsilon -
Protein kinase C eta type IC50 = 4300.0 nM 5.37 Evaluated against recombinant human Protein kinase C eta 8978850

Literature References

PubMed DOI Target Context # Activities
8978850 10.1021/jm960581w Protein kinase C beta type 2
- 10.1016/0960-894X(96)00311-3 Protein kinase C beta type 2
8978850 10.1021/jm960581w Protein kinase C alpha type 1
8978850 10.1021/jm960581w Protein kinase C gamma type 1
8978850 10.1021/jm960581w Protein kinase C delta type 1
8978850 10.1021/jm960581w Protein kinase C epsilon type 1
8978850 10.1021/jm960581w Protein kinase C eta type 1
8978850 10.1021/jm960581w Unchecked 1
8978850 10.1021/jm960581w Homo sapiens 1
- 10.1016/0960-894X(96)00311-3 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00311-3 Protein kinase C gamma type 1
- 10.1016/0960-894X(96)00311-3 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00311-3 Protein kinase C epsilon type 1
- 10.1016/0960-894X(96)00311-3 Protein kinase C eta type 1
- 10.1016/0960-894X(96)00311-3 Unchecked 1
- 10.1016/0960-894X(96)00311-3 Homo sapiens 1

Data from ChEMBL 36 via Core Engine