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Compound Detail

CHEMBL286005

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CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286005
Phase Preclinical
Structure Type MOL
InChI Key XKRFOEGCACICFY-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3
MW 297.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
2296008 10.1021/jm00163a002 Unchecked 1

Data from ChEMBL 36 via Core Engine