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Compound Detail

CHEMBL187002

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CC(C)C(C/C=C1\C(=O)OC(CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL187002
Phase Preclinical
Structure Type MOL
InChI Key KJZLQHREPYKCJR-GZTJUZNOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.13
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H38O5
MW 382.54
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 1.04

Activity Summary

Ki 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
 Ki 5.84 5.84 1457.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C delta type Ki = 1457.0 nM 5.84 Binding affinity for isolated C1b domain of protein kinase C-delta 15369389

Literature References

PubMed DOI Target Context # Activities
15369389 10.1021/jm049723+ Unchecked 1
15369389 10.1021/jm049723+ Protein kinase C delta type 1

Data from ChEMBL 36 via Core Engine