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Compound Detail

CHEMBL1446983

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O=C1C=C(O)c2cccc3cccc1c23

Basic Information

ChEMBL ID CHEMBL1446983
Phase Preclinical
Structure Type MOL
InChI Key DXBYIIARRIMNFJ-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

196.2
MW (Da)
2.94
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8O2
MW 196.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.78

Activity Summary

IC50 4 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.21 5.21 6133.0 1
Protein Rev
CHEMBL1293282
IC50 4.86 4.86 13868.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 4.48 4.47 33100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19630386 10.1021/jf901052e Pseudocercospora fijiensis 1

Data from ChEMBL 36 via Core Engine