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Compound Detail

CHEMBL299692

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O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299692
Phase Preclinical
Structure Type MOL
InChI Key JKHMLEFYWAGOQP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

282.1
MW (Da)
3.95
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.88
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 C13H9Cl2NO2
MW 282.13
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 Staphylococcus aureus 2
9685233 10.1021/jm9803572 Enterococcus faecalis 2
21534605 10.1021/jm200364n Onchocerca ochengi 2
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1
9685233 10.1021/jm9803572 Enterococcus faecium 1
9873460 10.1016/s0960-894x(98)00326-6 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1
21692479 10.1021/jm200325s NAD-dependent protein deacetylase sirtuin-1 1
21692479 10.1021/jm200325s Unchecked 1
21692479 10.1021/jm200325s Poly(ADP-ribose) glycohydrolase 1

Data from ChEMBL 36 via Core Engine