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Compound Detail

CHEMBL367162

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O=C(N[C@@H]1Cc2ccccc2C1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL367162
Phase Preclinical
Structure Type MOL
InChI Key SWZFTDYOTKYQHS-IHKRANBOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

569.5
MW (Da)
3.69
ALogP
9
HBA
6
HBD
190.7
PSA (Ų)
0.14
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 C31H23NO10
MW 569.52
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness 0.51

Activity Summary

IC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
IC50 7.16 7.16 70.0 1
Protein kinase C epsilon type
CHEMBL3582
IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type IC50 = 70.0 nM 7.16 Inhibition of protein kinase C alpha -
Protein kinase C epsilon type IC50 = 480.0 nM 6.32 Inhibition of protein kinase C epsilon -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00151-5 Protein kinase C beta type 2
- 10.1016/0960-894X(96)00151-5 Protein kinase C alpha type 1
- 10.1016/0960-894X(96)00151-5 Protein kinase C gamma type 1
- 10.1016/0960-894X(96)00151-5 Protein kinase C delta type 1
- 10.1016/0960-894X(96)00151-5 Protein kinase C epsilon type 1
- 10.1016/0960-894X(96)00151-5 Protein kinase C eta type 1

Data from ChEMBL 36 via Core Engine