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Compound Detail

CHEMBL334341

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Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C(C)C)cccc1C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334341
Phase Preclinical
Structure Type MOL
InChI Key XZFCRBGZCHQFDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.6
MW (Da)
6.30
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O3S
MW 417.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.52

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