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Compound Detail

CHEMBL92721

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COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C(C)(C)C)s1

Basic Information

ChEMBL ID CHEMBL92721
Phase Preclinical
Structure Type MOL
InChI Key PIAZOLWGBBDPNU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
4.63
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.74
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 C17H24N4O3S2
MW 396.54
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.73

Activity Summary

IC50 3 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 4.96 4.96 11000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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