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Compound Detail

CHEMBL118993

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CC(C)[C@](N)(C(=O)O)C1C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118993
Phase Preclinical
Structure Type MOL
InChI Key LLTOPGXPBOKEED-CJWBAZIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
0.15
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15NO4
MW 201.22
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.60

Literature References

PubMed DOI Target Context # Activities
9464366 10.1021/jm970497w Unchecked 1

Data from ChEMBL 36 via Core Engine