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Compound Detail

CHEMBL127724

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CCc1c(C)nc(OC)c(NC(=O)C(C)(C)C)c1Cc1cc(C)cc(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127724
Phase Preclinical
Structure Type MOL
InChI Key SPXOYLTWMNEOCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
5.15
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.79
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O2
MW 368.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.72

Literature References

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

Data from ChEMBL 36 via Core Engine