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Compound Detail

CHEMBL5178823

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NNC(=O)c1ccc(C(=O)Cn2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178823
Phase Preclinical
Structure Type MOL
InChI Key OPLYJQGAXQNACE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
2.51
ALogP
8
HBA
4
HBD
143.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O4
MW 429.44
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urease
CHEMBL4161
 IC50 5.49 5.49 3250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urease IC50 = 3250.0 nM 5.49 Inhibition of jack bean urease 35305460

Literature References

PubMed DOI Target Context # Activities
35305460 10.1016/j.ejmech.2022.114273 Urease 1

Data from ChEMBL 36 via Core Engine