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Compound Detail

CHEMBL491274

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CCc1ccc(N2CC(C(=O)OC)CC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491274
Phase Preclinical
Structure Type MOL
InChI Key BQCUCIJLORCUIS-UHFFFAOYSA-N

Known Names

CAS 160693-53-8
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

247.3
MW (Da)
1.77
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.76
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 C14H17NO3
MW 247.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
19215087 10.1021/jm801278g Unchecked 2
19215087 10.1021/jm801278g Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine