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Compound Detail

CHEMBL333801

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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCc3ccccc3)ccc2N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333801
Phase Preclinical
Structure Type MOL
InChI Key CRPJNMJMYOTWPH-DHLKQENFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
3.53
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.55
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 C26H35N3O3
MW 437.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.31

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 7.47 7.47 34.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 34.2 nM 7.47 Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylse... 12540236

Literature References

PubMed DOI Target Context # Activities
12540236 10.1021/jm020350r No relevant target 1
12540236 10.1021/jm020350r Protein kinase C alpha type 1
12540236 10.1021/jm020350r AG06848 cell line 1

Data from ChEMBL 36 via Core Engine