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Compound Detail

CHEMBL341026

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Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)NCC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341026
Phase Preclinical
Structure Type MOL
InChI Key ZWXKKYNLWLYAMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
4.11
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.85
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 C17H27N3O3S
MW 353.49
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.72

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