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Compound Detail

CHEMBL486619

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C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@@]2(C)O1

Basic Information

ChEMBL ID CHEMBL486619
Phase Preclinical
Structure Type MOL
InChI Key WPDITXOBNLYZHH-KAACEJSMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
0.95
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.51
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 C20H32O6
MW 368.47
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 3.15

Activity Summary

EC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
EC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus EC50 = 7100.0 nM 5.15 Compound was tested for inhibition of glucose transport in adipocytes plasma mem... 10406641

Literature References

PubMed DOI Target Context # Activities
6682146 10.1021/jm00358a006 Felis catus 2
10406641 10.1016/s0960-894x(99)00270-x Rattus norvegicus 1
6682146 10.1021/jm00358a006 Rattus norvegicus 1
6682146 10.1021/jm00358a006 Cavia porcellus 1
2849641 10.1021/np50059a019 Unchecked 1

Data from ChEMBL 36 via Core Engine