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Compound Detail

CHEMBL1276928

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O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL1276928
Phase Preclinical
Structure Type MOL
InChI Key JNJTUZVZXJADQY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
5.50
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14F3N3O
MW 381.36
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Chlamydia pneumoniae
CHEMBL612694
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Chlamydia pneumoniae IC50 = 3000.0 nM 5.52 Antibacterial activity against Chlamydia pneumoniae CWL029 infected in human HL ... 20932010

Literature References

PubMed DOI Target Context # Activities
20932010 10.1021/jm1008083 Chlamydia pneumoniae 5
25827525 10.1016/j.bmcl.2015.03.027 Leishmania donovani 3
20932010 10.1021/jm1008083 HL 2
20932010 10.1021/jm1008083 Staphylococcus aureus 1
20932010 10.1021/jm1008083 Escherichia coli 1

Data from ChEMBL 36 via Core Engine