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Compound Detail

CHEMBL1760099

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O=C(O)/C=C/[C@H]1C[C@@H](O)[C@@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760099
Phase Preclinical
Structure Type MOL
InChI Key QEQPNXCQDPGCRR-SBOTZYIVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
-0.24
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.50
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 C8H12O4
MW 172.18
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.64

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21334120 10.1016/j.ejmech.2011.01.049 Drosophila 1
21334120 10.1016/j.ejmech.2011.01.049 ADMET 1

Data from ChEMBL 36 via Core Engine