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Compound Detail

CHEMBL354701

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

Basic Information

ChEMBL ID CHEMBL354701
Phase Preclinical
Structure Type MOL
InChI Key NCUHGJVBQIQIRJ-ZJKWWJTRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.27
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12O5
MW 200.19
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00110-F B16 1
- 10.1016/0960-894X(95)00110-F DA-3 cell line 1
- 10.1016/0960-894X(95)00110-F HT-29 1
- 10.1016/0960-894X(95)00110-F MCF7 1

Data from ChEMBL 36 via Core Engine