Compound Detail
CHEMBL3314716
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Basic Information
| ChEMBL ID | CHEMBL3314716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQLNKRKVCSZRIK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
248.7
MW (Da)
3.18
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.42 | 5.42 | 3770.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 3770.0 | nM | 5.42 | Antihyperproliferative activity against human HaCaT cells assessed as inhibition... | 24964246 |
| HaCaT | IC50 | = | 3800.0 | nM | 5.42 | Antihyperproliferative activity against human HaCaT cells after 48 hrs by phase ... | 26840368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26840368 | 10.1016/j.ejmech.2016.01.040 | HaCaT | 3 |
| 24964246 | 10.1021/jm500754d | HaCaT | 1 |
| 26840368 | 10.1016/j.ejmech.2016.01.040 | NADPH--cytochrome P450 reductase | 1 |
| 26840368 | 10.1016/j.ejmech.2016.01.040 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine