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Compound Detail

CHEMBL278924

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COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL278924
Phase Preclinical
Structure Type MOL
InChI Key SYPDTJJRLTXCOA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
4.90
ALogP
3
HBA
3
HBD
83.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O3
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.92

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.92 7.92 12.0 1
SW1353
CHEMBL614944
IC50 6.51 6.51 309.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11140741 10.1016/s0960-894x(00)00574-6 Mitogen-activated protein kinase 14 1
11140741 10.1016/s0960-894x(00)00574-6 SW1353 1
11140741 10.1016/s0960-894x(00)00574-6 No relevant target 1

Data from ChEMBL 36 via Core Engine