Compound Detail
CHEMBL4754444
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CC(C)C[C@H](NC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc2OCCc2c[nH]c3ccccc23)c(OCCc2c[nH]c3ccccc23)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4754444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFBBCANCCJJONX-PIIAZFBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1724.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Binding affinity to two PBDs of N36 trimer of gp41 in HIV1 NL4-3 infected in hum... | 33157478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33157478 | 10.1016/j.bmc.2020.115812 | Unchecked | 1 |
| 33157478 | 10.1016/j.bmc.2020.115812 | TZM | 1 |
Data from ChEMBL 36 via Core Engine