Compound Detail
CHEMBL3770010
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CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3770010 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SXJFFTZCKYTLRG-OZHFILRDSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1444.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 7 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Structural capsid protein CHEMBL2366504 | Kd | 5.52 | 5.46 | 3000.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 5.3 | 4.674 | 5000.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Structural capsid protein | Kd | = | 3000.0 | nM | 5.52 | Binding affinity to HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) by... | 26685880 |
| Structural capsid protein | Kd | = | 4000.0 | nM | 5.4 | Binding affinity to full length HIV1 NL4-3 capsid (1 to 231 residues) by isother... | 26685880 |
| Unchecked | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to recombinant HIV1 NL4-3 capsid E187A mutant by isothermal tit... | 26685880 |
| Unchecked | Kd | = | 13000.0 | nM | 4.89 | Binding affinity to recombinant HIV1 NL4-3 capsid Y169A mutant by isothermal tit... | 26685880 |
| Unchecked | Kd | = | 15000.0 | nM | 4.82 | Binding affinity to recombinant HIV1 NL4-3 capsid L211A mutant by isothermal tit... | 26685880 |
| Unchecked | Kd | = | 53000.0 | nM | 4.28 | Binding affinity to recombinant HIV1 NL4-3 capsid N183A mutant by isothermal tit... | 26685880 |
| Unchecked | Kd | = | 84000.0 | nM | 4.08 | Binding affinity to recombinant HIV1 NL4-3 capsid L211S mutant by isothermal tit... | 26685880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26685880 | 10.1021/acs.jmedchem.5b01089 | Unchecked | 10 |
| 26685880 | 10.1021/acs.jmedchem.5b01089 | Structural capsid protein | 2 |
Data from ChEMBL 36 via Core Engine