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Compound Detail

CHEMBL1760091

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C/C=C/[C@H]1C[C@@H](O)[C@@H](O)C1

Basic Information

ChEMBL ID CHEMBL1760091
Phase Preclinical
Structure Type MOL
InChI Key PJFREHRLIJVVST-IICZXZROSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

142.2
MW (Da)
0.69
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H14O2
MW 142.20
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 2.01

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Drosophila
CHEMBL612724
EC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Drosophila EC50 = 100000.0 nM 4.0 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