Compound Detail
CHEMBL4874525
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CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)N[C@H](c3cccc4ccccc34)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](c3cccc4ccccc34)CC(=O)N2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4874525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFTUAZKZSFNPLY-KCKACOSDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2070.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BT-474 CHEMBL614529 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BT-474 | IC50 | = | 7220.0 | nM | 5.14 | Antiproliferative activity against human BT-474 cells overexpressing HER2 assess... | 33667849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33667849 | 10.1016/j.ejmech.2021.113312 | BT-474 | 1 |
| 33667849 | 10.1016/j.ejmech.2021.113312 | MCF7 | 1 |
| 33667849 | 10.1016/j.ejmech.2021.113312 | Calu-3 | 1 |
| 33667849 | 10.1016/j.ejmech.2021.113312 | A549 | 1 |
Data from ChEMBL 36 via Core Engine