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Compound Detail

CHEMBL273884

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O=C(O)C1CC2OC1C(C(=O)O)C2C(=O)O

Basic Information

ChEMBL ID CHEMBL273884
Phase Preclinical
Structure Type MOL
InChI Key VILUPVHBJMWDJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-0.74
ALogP
4
HBA
3
HBD
121.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10O7
MW 230.17
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.83

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 50.0 nM 7.3 Compound was tested for inhibition of specific [3H]cantharidin binding to CBP: R... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00166-7 Unchecked 2

Data from ChEMBL 36 via Core Engine