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Compound Detail

CHEMBL299248

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CC(C)=CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3

Basic Information

ChEMBL ID CHEMBL299248
Phase Preclinical
Structure Type MOL
InChI Key USAZTFSTNOGAOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
5.64
ALogP
2
HBA
2
HBD
49.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21N3O
MW 379.46
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness 0.55

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 3500.0 nM 5.46 In vitro for inhibitory activity against protein kinase C from rat brain -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80995-1 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(01)80995-1 cAMP-dependent protein kinase A 1
- 10.1016/S0960-894X(01)80995-1 cGMP-dependent protein kinase 1 1
- 10.1016/S0960-894X(01)80995-1 Myosin light chain kinase, smooth muscle 1
- 10.1016/S0960-894X(01)80995-1 Splenocyte 1

Data from ChEMBL 36 via Core Engine