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Compound Detail

CHEMBL34725

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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc3c(cc2N1C)C1(CCCCC1)CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34725
Phase Preclinical
Structure Type MOL
InChI Key AUKKJONMOORTGO-UGKGYDQZSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.6
MW (Da)
3.72
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2O2
MW 384.56
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.29

Activity Summary

EC50 1 meas. best 7.16
Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
 Ki 7.72 7.72 19.0 1
HL-60
CHEMBL383
 EC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C delta type Ki = 19.0 nM 7.72 Displacement of [3H]PDBu from recombinant Protein kinase C delta 9554881
HL-60 EC50 = 70.0 nM 7.16 Effective concentration against HL-60 cell differentiation 9554881

Literature References

PubMed DOI Target Context # Activities
9554881 10.1021/jm970704s Protein kinase C delta type 1
9554881 10.1021/jm970704s HL-60 1

Data from ChEMBL 36 via Core Engine