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Compound Detail

CHEMBL67467

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COc1cccc(OC)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67467
Phase Preclinical
Structure Type MOL
InChI Key ZRLIOQZNBZXXDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.91
ALogP
7
HBA
2
HBD
98.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O5S
MW 429.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.63

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