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Compound Detail

CHEMBL37684

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

Basic Information

ChEMBL ID CHEMBL37684
Phase Preclinical
Structure Type MOL
InChI Key JASZPZPNYHJPQY-LPHOPBHVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
2.79
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.87
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 C21H32N2O2
MW 344.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.69

Activity Summary

Ki 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
 Ki 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C delta type Ki = 65.0 nM 7.19 Displacement of [3H]PDBu from recombinant Protein kinase C delta 9554881

Literature References

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

Data from ChEMBL 36 via Core Engine