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Compound Detail

CHEMBL5678789

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CCCCCCCCCCc1ccc2c(c1)N(C)[C@H](C(C)C)C(=O)N[C@H](CO)CC2

Basic Information

ChEMBL ID CHEMBL5678789
Phase Preclinical
Structure Type MOL
InChI Key BCHWRTSRKGAFTC-UKILVPOCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
5.25
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44N2O2
MW 416.65
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.85

Activity Summary

EC50 2 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2093867
EC50 5.81 5.605 1540.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30413535 10.1074/jbc.ra118.005798 Protein kinase C (PKC) 4
30413535 10.1074/jbc.ra118.005798 ADMET 3
30413535 10.1074/jbc.ra118.005798 ACH-2 cell line 1
30413535 10.1074/jbc.ra118.005798 U1 1

Data from ChEMBL 36 via Core Engine