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Compound Detail

CHEMBL84642

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CCOC(=O)[C@@H]1[C@H](C(=O)OCC)[C@H]2CC[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84642
Phase Preclinical
Structure Type MOL
InChI Key XMTANUFQUTUZGE-YNFQOJQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
0.91
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.69
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 C12H18O5
MW 242.27
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10005-1 Unchecked 2

Data from ChEMBL 36 via Core Engine