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Compound Detail

CHEMBL337616

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CCc1c(C)nc(O)c(NC(=O)C(C)(C)C)c1C(=O)c1cc(C)cc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337616
Phase Preclinical
Structure Type MOL
InChI Key YWWCMBKHWXKAQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.49
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.78
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 C22H28N2O3
MW 368.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
11052800 10.1021/jm0009437 CEM-SS 2

Data from ChEMBL 36 via Core Engine