Compound Detail
CHEMBL2380932
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2380932 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LYBUYLOGJNQDIK-PXUYJNPLSA-N |
3
Targets
23
Activities
3
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
4289.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 17 meas. best 10.0
IC50 5 meas. best 8.35
Kd 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 10.0 | 8.1931 | 0.1 | 16 |
| GP41 CHEMBL3559676 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.35 | 7.6325 | 4.5 | 4 |
| Unchecked CHEMBL612545 | Kd | 7.16 | 7.16 | 69.9 | 1 |
| GP41 CHEMBL3559676 | IC50 | 5.55 | 5.55 | 2840.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34261320 | 10.1021/acs.jmedchem.1c00781 | Human immunodeficiency virus 1 | 15 |
| 25156906 | 10.1021/jm500763m | GP41 | 5 |
| 23522564 | 10.1016/j.bmcl.2013.02.071 | Human immunodeficiency virus 1 | 4 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | Human immunodeficiency virus 1 | 3 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | ADMET | 2 |
| 34261320 | 10.1021/acs.jmedchem.1c00781 | Unchecked | 1 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | No relevant target | 1 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | Unchecked | 1 |
| 38364308 | 10.1021/acs.jmedchem.4c00116 | TZM | 1 |
Data from ChEMBL 36 via Core Engine