Compound Detail
CHEMBL2372998
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NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL2372998 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KMHAUBXUCDXSDI-ZCCUMRHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2022.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 CHEMBL2107 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-X-C chemokine receptor type 4 | EC50 | = | 72.0 | nM | 7.14 | Effective concentration for 50% protection of HIV-induced cytopathogenicity in M... | 11459656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459656 | 10.1016/s0960-894x(01)00323-7 | C-X-C chemokine receptor type 4 | 2 |
| 11459656 | 10.1016/s0960-894x(01)00323-7 | Unchecked | 2 |
| 11459656 | 10.1016/s0960-894x(01)00323-7 | MT4 | 1 |
| 11459656 | 10.1016/s0960-894x(01)00323-7 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine