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Compound Detail

CHEMBL96260

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COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(C)c1

Basic Information

ChEMBL ID CHEMBL96260
Phase Preclinical
Structure Type MOL
InChI Key HQSYGAHDGYLCMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
5.09
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O3S
MW 360.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAF proto-oncogene serine/threonine-protein kinase IC50 = 15000.0 nM 4.82 Inhibitory concentration against raf kinase. 11591521

Literature References

PubMed DOI Target Context # Activities
11591521 10.1016/s0960-894x(01)00571-6 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine