Compound Detail
CHEMBL4289957
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4289957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOPPRTLDAJBUPO-MPFIPSHNSA-N |
3
Targets
19
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3126.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.62 | 8.0711 | 2.4 | 9 |
| Envelope glycoprotein gp160 CHEMBL6181 | IC50 | 8.61 | 8.61 | 2.5 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 8.55 | 8.12 | 2.8 | 9 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.083 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30109011 | 10.1039/C8MD00124C | Envelope glycoprotein gp160 | 10 |
| 30109011 | 10.1039/C8MD00124C | Unchecked | 10 |
| 30109011 | 10.1039/C8MD00124C | Human immunodeficiency virus 1 | 9 |
Data from ChEMBL 36 via Core Engine