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Compound Detail

CHEMBL434058

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CCc1cc(NC(=O)C(C)(C)C)c(OC)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434058
Phase Preclinical
Structure Type MOL
InChI Key YNOHDVUYAXBTFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.95
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O2
MW 250.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.99

Literature References

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

Data from ChEMBL 36 via Core Engine