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Compound Detail

CHEMBL2385716

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COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL2385716
Phase Preclinical
Structure Type MOL
InChI Key FXTAXDJWNKIIHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.7
MW (Da)
4.26
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.78
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 C17H12ClNO3
MW 313.74
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.04

Activity Summary

EC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular stomatitis virus
CHEMBL613739
EC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23930152 10.1021/ml300464h Vesicular stomatitis virus 1

Data from ChEMBL 36 via Core Engine