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Compound Detail

CHEMBL523053

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CCCC(CC)OC(=O)c1cc(CO)cc(C(=O)OC(CC)CCC)c1

Basic Information

ChEMBL ID CHEMBL523053
Phase Preclinical
Structure Type MOL
InChI Key ONMFJTSDBZIFTK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.65
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32O5
MW 364.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.43

Activity Summary

Ki 2 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 6.18 6.18 661.0 1
Protein kinase C delta type
CHEMBL2996
Ki 6.04 6.04 915.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19438240 10.1021/jm900229p Protein kinase C alpha type 2
19438240 10.1021/jm900229p Protein kinase C delta type 2
19438240 10.1021/jm900229p Protein kinase C (PKC) 2

Data from ChEMBL 36 via Core Engine