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Compound Detail

CHEMBL1760107

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O=C(/C=C/[C@H]1C[C@@H](O)[C@@H](O)C1)NO

Basic Information

ChEMBL ID CHEMBL1760107
Phase Preclinical
Structure Type MOL
InChI Key HXLQBHCMSVODDE-SBOTZYIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

187.2
MW (Da)
-0.82
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.26
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 C8H13NO4
MW 187.19
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.34

Activity Summary

EC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
EC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila EC50 = 13000.0 nM 4.89 Ex vivo immunosuppressive activity in Drosophila larvae assessed as inhibition o... 21334120

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