Compound Detail
CHEMBL3985661
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Basic Information
| ChEMBL ID | CHEMBL3985661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUMZENGQNOATEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
196.6
MW (Da)
2.15
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 4.15 | 4.15 | 70740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 70740.0 | nM | 4.15 | Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability | 30594028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28041801 | 10.1016/j.bmc.2016.12.025 | NON-PROTEIN TARGET | 9 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine