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Compound Detail

CHEMBL294037

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Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)COC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294037
Phase Preclinical
Structure Type MOL
InChI Key SKICTLZCYREIRF-UHFFFAOYSA-N
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

292.2
MW (Da)
1.62
ALogP
7
HBA
6
HBD
130.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12O7
MW 292.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.88

Activity Summary

IC50 11 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
 IC50 4.55 4.4225 28000.0 4
Unchecked
CHEMBL612545
 IC50 4.54 4.525 29000.0 2
Protein kinase C gamma type
CHEMBL2938
 IC50 4.52 4.495 30000.0 2
Protein kinase C alpha type
CHEMBL299
 IC50 4.43 4.43 37000.0 1
Protein kinase C delta type
CHEMBL2996
 IC50 4.38 4.37 42000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 28000.0 nM 4.55 Inhibitory activity against protein kinase C of rat brain 8289196
Unchecked IC50 = 29000.0 nM 4.54 Inhibition of c-AMP dependent kinase (PKA) catalytic subunit 8289196
Protein kinase C gamma type IC50 = 30000.0 nM 4.52 Inhibition of protein kinase C gamma 8289196
Unchecked IC50 = 31000.0 nM 4.51 Inhibition of c-AMP dependent kinase (PKA) catalytic subunit 8289196
Protein kinase C (PKC) IC50 = 32000.0 nM 4.5 Inhibitory activity against protein kinase C of rat brain 8289196
Protein kinase C gamma type IC50 = 34000.0 nM 4.47 Inhibition of protein kinase C gamma 8289196
Protein kinase C alpha type IC50 = 37000.0 nM 4.43 Inhibition of protein kinase C alpha 8289196
Protein kinase C delta type IC50 = 42000.0 nM 4.38 Inhibition of protein kinase C delta 8289196
Protein kinase C (PKC) IC50 = 43000.0 nM 4.37 Inhibitory activity against protein kinase C of rat brain 8289196
Protein kinase C delta type IC50 = 44000.0 nM 4.36 Inhibition of protein kinase C delta 8289196
Protein kinase C (PKC) IC50 = 54000.0 nM 4.27 Displacement of [3H]PDBU from protein kinase C 8289196

Literature References

PubMed DOI Target Context # Activities
8289196 10.1021/jm00027a025 Protein kinase C (PKC) 4
8289196 10.1021/jm00027a025 Unchecked 3
8289196 10.1021/jm00027a025 Protein kinase C delta type 2
8289196 10.1021/jm00027a025 Protein kinase C gamma type 2
8289196 10.1021/jm00027a025 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine