Compound Detail
CHEMBL4758649
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C6CCCCC6)cc45)CC3)ncnc2cc1OC)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL4758649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWKSVPDGBZKRLN-PSWPKGPMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1131.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 8.99 | 8.99 | 1.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 1.03 | nM | 8.99 | Cytotoxicity against human MDA-MB-231 cells | 33166687 |
| Cytochrome P450 3A4 | IC50 | = | 660.0 | nM | 6.18 | Inhibition of CYP3A4 (unknown origin) | 33166687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33166687 | 10.1016/j.bmcl.2020.127676 | MDA-MB-231 | 1 |
| 33166687 | 10.1016/j.bmcl.2020.127676 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine