Compound Detail
CHEMBL2285994
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Basic Information
| ChEMBL ID | CHEMBL2285994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMKVSINXYNMKIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
3.49
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.22 | 4.22 | 59860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 59860.0 | nM | 4.22 | Inhibition of Canavalia ensiformis (jack bean) urease assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0575-7 | Lemna aequinoctialis | 3 |
| - | 10.1007/s00044-013-0575-7 | Urease | 2 |
| - | 10.1007/s00044-013-0575-7 | Nakaseomyces glabratus | 1 |
| - | 10.1007/s00044-013-0575-7 | Fusarium solani | 1 |
| - | 10.1007/s00044-013-0575-7 | Microsporum canis | 1 |
| - | 10.1007/s00044-013-0575-7 | Aspergillus flavus | 1 |
| - | 10.1007/s00044-013-0575-7 | Candida albicans | 1 |
| - | 10.1007/s00044-013-0575-7 | Trichophyton longifusum | 1 |
| - | 10.1007/s00044-013-0575-7 | Artemia salina | 1 |
Data from ChEMBL 36 via Core Engine