Compound Detail
CHEMBL4581126
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CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL4581126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIAMIJJFSNOUHG-UFLOPBJBSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
2293.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| HeLa CHEMBL399 | IC50 | 6.24 | 5.8367 | 580.0 | 3 |
| BE(2)-C CHEMBL4483229 | IC50 | 6.11 | 5.7467 | 780.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 4.28 | nM | 8.37 | Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured ever... | 31801019 |
| HeLa | IC50 | = | 580.0 | nM | 6.24 | Potentiation of cisplatin-induced cytotoxicity against human HeLa cells assessed... | 31801019 |
| BE(2)-C | IC50 | = | 780.0 | nM | 6.11 | Potentiation of cisplatin-induced cytotoxicity against human BE(2)-C cells asses... | 31801019 |
| HeLa | IC50 | = | 1160.0 | nM | 5.94 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 31801019 |
| BE(2)-C | IC50 | = | 1580.0 | nM | 5.8 | Antiproliferative activity against human BE(2)-C cells assessed as reduction in ... | 31801019 |
| BE(2)-C | IC50 | = | 4700.0 | nM | 5.33 | Antiproliferative activity against human BE(2)-C cells assessed as reduction in ... | 31801019 |
| HeLa | IC50 | = | 4700.0 | nM | 5.33 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 31801019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31801019 | 10.1021/acs.jmedchem.9b01694 | BE(2)-C | 24 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | HeLa | 23 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | Candida albicans | 10 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | 20S proteasome | 4 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | Erythrocyte | 1 |
| 31801019 | 10.1021/acs.jmedchem.9b01694 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine