Compound Detail
CHEMBL5566008
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NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(c1ccccc1)c1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5566008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTQHKGRJMXLUMH-TVEKFXMRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1439.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.25
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 56100.0 | nM | 4.25 | Cytostatic activity against human U-937 cells after 24 hrs by CCK-8 assay | 38278140 |
| A20 | IC50 | = | 89900.0 | nM | 4.05 | Cytostatic activity against mouse A20 cells after 24 hrs by CCK-8 assay | 38278140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38278140 | 10.1021/acs.jmedchem.3c02232 | ADMET | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | A20 | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | U-937 | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | Unchecked | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | HeLa | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | B16-F10 | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | ES-2 | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | NCI/ADR-RES | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | A549/TR | 1 |
| 38278140 | 10.1021/acs.jmedchem.3c02232 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine