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Compound Detail

CHEMBL363433

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O=C1Nc2ccc(Cl)cc2C(/C=C/C2CC2)(C(F)(F)F)N1

Basic Information

ChEMBL ID CHEMBL363433
Phase Preclinical
Structure Type MOL
InChI Key UXDWYQAXEGVSPS-AATRIKPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.7
MW (Da)
4.20
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12ClF3N2O
MW 316.71
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
15801834 10.1021/jm049606e Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine