Compound Detail
CHEMBL3765668
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Basic Information
| ChEMBL ID | CHEMBL3765668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUGSGBABOXQXBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
3.79
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 590.0 | nM | 6.23 | 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 | 4 |
| 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