Compound Detail
CHEMBL250867
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Basic Information
| ChEMBL ID | CHEMBL250867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOKOXBWJYLCGIB-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.7
MW (Da)
3.94
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against human HCT116 cells assessed as cell viability after 48 hrs ... | 23771043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 3 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine