Compound Detail
CHEMBL5570934
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NCCCC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CSC(c1ccccc1)c1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5570934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHKFEHOOCQIYQC-BVMLIRCXSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1485.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A20 CHEMBL613850 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
| ES-2 CHEMBL5058622 | IC50 | 4.56 | 4.56 | 27700.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A20 | IC50 | = | 5100.0 | nM | 5.29 | Cytotoxicity against mouse A20 cells incubated for 24 hrs by CCK8 assay | 38762978 |
| U-937 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human U-937 cells incubated for 24 hrs by CCK8 assay | 38762978 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human CoC1 cells incubated for 24 hrs by CCK8 assay | 38762978 |
| HepG2 | IC50 | = | 17000.0 | nM | 4.77 | Cytotoxicity against human HepG2 cells incubated for 24 hrs by MTT assay | 38762978 |
| 4T1 | IC50 | = | 20200.0 | nM | 4.7 | Cytotoxicity against mouse 4T1 cells incubated for 24 hrs by MTT assay | 38762978 |
| ES-2 | IC50 | = | 27700.0 | nM | 4.56 | Cytotoxicity against human ES2 cells incubated for 24 hrs by MTT assay | 38762978 |
| HUVEC | IC50 | = | 30300.0 | nM | 4.52 | Cytotoxicity against HUVECs incubated for 24 hrs by MTT assay | 38762978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38762978 | 10.1016/j.bmc.2024.117760 | A20 | 3 |
| 38762978 | 10.1016/j.bmc.2024.117760 | HepG2 | 2 |
| 38762978 | 10.1016/j.bmc.2024.117760 | Unchecked | 2 |
| 38762978 | 10.1016/j.bmc.2024.117760 | Erythrocyte | 2 |
| 38762978 | 10.1016/j.bmc.2024.117760 | U-937 | 1 |
| 38762978 | 10.1016/j.bmc.2024.117760 | 4T1 | 1 |
| 38762978 | 10.1016/j.bmc.2024.117760 | ES-2 | 1 |
| 38762978 | 10.1016/j.bmc.2024.117760 | HUVEC | 1 |
| 38762978 | 10.1016/j.bmc.2024.117760 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine