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Compound Detail

CHEMBL327734

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Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(O)c1O

Basic Information

ChEMBL ID CHEMBL327734
Phase Preclinical
Structure Type MOL
InChI Key FAVQXHGBDVDUFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
5.62
ALogP
4
HBA
3
HBD
93.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16Cl2N2O3
MW 427.29
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F)
CHEMBL2111331
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 Enterococcus faecalis 3
9685233 10.1021/jm9803572 Staphylococcus aureus 2
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1
9685233 10.1021/jm9803572 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine