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Compound Detail

CHEMBL93264

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CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1

Basic Information

ChEMBL ID CHEMBL93264
Phase Preclinical
Structure Type MOL
InChI Key NODOOVCFKLFCGG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
4.30
ALogP
5
HBA
2
HBD
72.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O3S
MW 349.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 5.12 5.12 7600.0 2

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
18947905 10.1016/j.ejmech.2008.09.016 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine