Compound Detail
CHEMBL4127815
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Basic Information
| ChEMBL ID | CHEMBL4127815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXCSJICSWRWPHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.89
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 4.53 | 4.53 | 29380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 29380.0 | nM | 4.53 | Cytotoxicity in mouse B16/F10 cells assessed as reduction in cell viability incu... | 29657100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29657100 | 10.1016/j.bmcl.2018.03.074 | MCF7 | 1 |
| 29657100 | 10.1016/j.bmcl.2018.03.074 | A549 | 1 |
| 29657100 | 10.1016/j.bmcl.2018.03.074 | MDA-MB-231 | 1 |
| 29657100 | 10.1016/j.bmcl.2018.03.074 | DU-145 | 1 |
| 29657100 | 10.1016/j.bmcl.2018.03.074 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine