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Compound Detail

CHEMBL130943

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COc1cc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130943
Phase Preclinical
Structure Type MOL
InChI Key PKISAKMOTUYTCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
5.08
ALogP
6
HBA
2
HBD
89.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F3N3O4S
MW 431.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
14592495 10.1016/j.bmcl.2003.08.054 Proto-oncogene tyrosine-protein kinase LCK 1

Data from ChEMBL 36 via Core Engine