Compound Detail
CHEMBL4210516
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CC[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N(C)[C@H](C)C(=O)O[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(=O)N(C)[C@@H](C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL4210516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SALXJHIWNUWMJC-RKHHLZPHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
1227.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against human U-87 MG cells expressing GLuc assessed ... | 37849553 |
| BT-549 | IC50 | = | 18.0 | nM | 7.75 | Cytotoxicity in human BT-549 cells assessed as reduction in cell viability incub... | 33417771 |
| A549 | IC50 | = | 19.1 | nM | 7.72 | Cytotoxicity in human A549 cells assessed as reduction in cell viability incubat... | 33417771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849553 | 10.1021/acsmedchemlett.3c00232 | U-87 MG | 5 |
| 30247036 | 10.1021/acs.jmedchem.8b01141 | MDA-MB-231 | 3 |
| 30247036 | 10.1021/acs.jmedchem.8b01141 | Mus musculus | 2 |
| 33417771 | 10.1021/acs.jmedchem.0c01387 | BT-549 | 2 |
| 33417771 | 10.1021/acs.jmedchem.0c01387 | A549 | 2 |
| 30247036 | 10.1021/acs.jmedchem.8b01141 | A549 | 1 |
| 30247036 | 10.1021/acs.jmedchem.8b01141 | PANC-1 | 1 |
| 33417771 | 10.1021/acs.jmedchem.0c01387 | ADMET | 1 |
| 37849553 | 10.1021/acsmedchemlett.3c00232 | A549 | 1 |
| 37849553 | 10.1021/acsmedchemlett.3c00232 | HCT-116 | 1 |
| 37849553 | 10.1021/acsmedchemlett.3c00232 | NHDF | 1 |
Data from ChEMBL 36 via Core Engine