Compound Detail
CHEMBL1915702
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Basic Information
| ChEMBL ID | CHEMBL1915702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXKULHMXBIMLQO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.35
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.68 | 5.375 | 2100.0 | 2 |
| Urease CHEMBL4161 | IC50 | 4.3 | 4.3 | 50600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against vinblastine-selected human KBV1 cells after 72 hrs by MTT a... | 21721528 |
| NON-PROTEIN TARGET | IC50 | = | 8590.0 | nM | 5.07 | Cytotoxicity against human KB-3-1 cells after 72 hrs by MTT assay | 21721528 |
| Urease | IC50 | = | 50600.0 | nM | 4.3 | Inhibition of Canavalia ensiformis (jack bean) urease assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21721528 | 10.1021/jm2006047 | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-013-0575-7 | Urease | 2 |
| 21721528 | 10.1021/jm2006047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine