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Compound Detail

CHEMBL1703740

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COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)on1

Basic Information

ChEMBL ID CHEMBL1703740
Phase Preclinical
Structure Type MOL
InChI Key XMYPAHSBBFKWKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.7
MW (Da)
3.47
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClN2O3
MW 292.72
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.93

Activity Summary

EC50 1 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 3
CHEMBL4026
EC50 8.34 8.34 4.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine