Compound Detail
CHEMBL5571421
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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCC(=O)NCCOCCOCCOCCOc2ccc3c(c2)CCN(c2cccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)c2)C3)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5571421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKEBDINCMVIYHY-ZYZBTBTMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1141.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AML12 CHEMBL5058625 | EC50 | 8.05 | 7.22 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AML12 | EC50 | = | 9.0 | nM | 8.05 | Protection against CCl4-induced ferroptosis in mouse AML12 cells assessed as cel... | 39047113 |
| AML12 | EC50 | = | 410.0 | nM | 6.39 | Protection against CCl4-induced ferroptosis in mouse AML12 cells assessed as cel... | 39047113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39047113 | 10.1021/acs.jmedchem.4c00403 | AML12 | 25 |
| 39047113 | 10.1021/acs.jmedchem.4c00403 | Mus musculus | 18 |
| 39047113 | 10.1021/acs.jmedchem.4c00403 | Unchecked | 8 |
| 39047113 | 10.1021/acs.jmedchem.4c00403 | von Hippel-Lindau disease tumor suppressor/Nuclear receptor coactivator 4 | 3 |
Data from ChEMBL 36 via Core Engine