Compound Detail
CHEMBL5415654
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CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)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(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL5415654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBZHUGYNQMYFKH-IZEGPPFJSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2708.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.43 | 7.532 | 3.7 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3.7 | nM | 8.43 | Antiviral activity against HIV-1 clinical isolate 97 TH-NP1525 infected in human... | 36944281 |
| Human immunodeficiency virus 1 | EC50 | = | 4.47 | nM | 8.35 | Antiviral activity against HIV-1 Bal-R5 infected in human CEMx174 5.25M7 cells a... | 36944281 |
| Human immunodeficiency virus 1 | EC50 | = | 63.1 | nM | 7.2 | Antiviral activity against HIV-1 clinical isolate X4-89BZ167 infected in human C... | 36944281 |
| Human immunodeficiency virus 1 | EC50 | = | 76.5 | nM | 7.12 | Antiviral activity against HIV-1 clinical isolate X4-92UG024 infected in human C... | 36944281 |
| Human immunodeficiency virus 1 | EC50 | = | 275.0 | nM | 6.56 | Antiviral activity against HIV-1 clinical isolate R5-91US-4 infected in human CE... | 36944281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36944281 | 10.1016/j.ejmech.2023.115294 | Human immunodeficiency virus 1 | 6 |
| 36944281 | 10.1016/j.ejmech.2023.115294 | Envelope glycoprotein gp160 | 3 |
| 36944281 | 10.1016/j.ejmech.2023.115294 | C-C chemokine receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine