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Compound Detail

CHEMBL338224

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

Basic Information

ChEMBL ID CHEMBL338224
Phase Preclinical
Structure Type MOL
InChI Key SPNJGNNPWDQKEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
4.82
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.76
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 C24H34N2O3
MW 398.55
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.69

Literature References

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

Data from ChEMBL 36 via Core Engine