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Compound Detail

CHEMBL4242065

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O=C(COc1c(Cl)cccc1Cl)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4242065
Phase Preclinical
Structure Type MOL
InChI Key PQXZBKRPUYJYEK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

236.1
MW (Da)
1.88
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7Cl2NO3
MW 236.05
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29983280 10.1016/j.bmc.2018.07.003 Urease subunit alpha/Urease subunit beta 2

Data from ChEMBL 36 via Core Engine