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Compound Detail

CHEMBL68645

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Cc1ccc(C(C)C)c(C)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68645
Phase Preclinical
Structure Type MOL
InChI Key VFRKPLBPVJGXRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
6.64
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.48
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 C24H29N3O3S
MW 439.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
12798323 10.1016/s0960-894x(03)00380-9 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine