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Compound Detail

CHEMBL3600647

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COc1ccc(/C=N/NC(=O)c2ccc(/C=C3/C(=O)Nc4ccc(Cl)cc43)cc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3600647
Phase Preclinical
Structure Type MOL
InChI Key QLHMOFRESUSVIC-HXEVDWITSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
4.31
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18ClN3O4
MW 447.88
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.00

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26077497 10.1016/j.bmcl.2015.05.069 Urease 1

Data from ChEMBL 36 via Core Engine