Compound Detail
CHEMBL5178598
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CCNc1cc2c(cc1C)C1(c3cc(C)c(NCC)cc3O2)c2ccccc2C(=O)N1NC(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5178598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCCNGQZCZGPBDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
6.37
ALogP
5
HBA
3
HBD
82.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 6.96 | 6.96 | 110.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 110.8 | nM | 6.96 | 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