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Compound Detail

CHEMBL209616

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CC(C)C(C/C=C1\CC(CO)(COC(=O)c2cccc(O)c2)OC1=O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209616
Phase Preclinical
Structure Type MOL
InChI Key NTNNXALVKZRFEK-CAOOACKPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.47
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30O6
MW 390.48
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.21

Activity Summary

Ki 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 670.0 nM 6.17 Displacement of [20-3H]PDBU from recombinant PKCalpha in presence of phosphatidy... 16722637

Literature References

PubMed DOI Target Context # Activities
16722637 10.1021/jm060011o Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine