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Compound Detail

CHEMBL1391235

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COc1cc(O)cc2cc3c(c(O)c12)C(=O)CC(C)(O)O3

Basic Information

ChEMBL ID CHEMBL1391235
Phase Preclinical
Structure Type MOL
InChI Key FKCYENFBFZUSDP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
1.93
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.74
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 C15H14O6
MW 290.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 2.20

Activity Summary

IC50 2 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.53 5.53 2957.0 1
Protein Rev
CHEMBL1293282
IC50 4.79 4.79 16241.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26711143 10.1016/j.bmcl.2015.12.005 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine