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Compound Detail

CHEMBL279560

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COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL279560
Phase Preclinical
Structure Type MOL
InChI Key BAXKULRSDFFZQS-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.18
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.57
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 C17H20N2O4S
MW 348.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.08

Activity Summary

IC50 4 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.21 6.21 610.0 1
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 4.82 4.7967 15000.0 3

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 2
11591521 10.1016/s0960-894x(01)00571-6 RAF proto-oncogene serine/threonine-protein kinase 1
18346893 10.1016/j.bmcl.2008.02.068 RAF proto-oncogene serine/threonine-protein kinase 1
18947905 10.1016/j.ejmech.2008.09.016 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine