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Compound Detail

CHEMBL4792263

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N[C@H](C(=O)O)[C@@H]1C[C@]1(COCc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4792263
Phase Preclinical
Structure Type MOL
InChI Key VUUQUXVQTVIWNF-COPLHBTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
0.71
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO5
MW 279.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
33383257 10.1016/j.ejmech.2020.113099 Unchecked 8

Data from ChEMBL 36 via Core Engine