Compound Detail
CHEMBL5078598
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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](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL5078598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLMDMXIEANGIJA-LJVLVPBOSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
4429.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.73 | 6.758 | 18.5 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 18.5 | nM | 7.73 | Antiviral activity against HIV 1 IIIB(X5) incubated overnight by ELISA analysis | 33929200 |
| Human immunodeficiency virus 1 | IC50 | = | 176.0 | nM | 6.75 | Antiviral activity against HIV 1 BaL(R5) incubated overnight by ELISA analysis | 33929200 |
| Human immunodeficiency virus 1 | IC50 | = | 298.0 | nM | 6.53 | Antiviral activity against HIV 1 25710-2 subtype C assessed as inhibition of vir... | 33929200 |
| Human immunodeficiency virus 1 | IC50 | = | 353.0 | nM | 6.45 | Antiviral activity against HIV 1 JRFL subtype B assessed as inhibition of viral ... | 33929200 |
| Human immunodeficiency virus 1 | IC50 | = | 472.0 | nM | 6.33 | Antiviral activity against HIV-1 IIIB assessed as inhibition of HIV-1 Env mediat... | 33929200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33929200 | 10.1021/acs.jmedchem.1c00258 | Human immunodeficiency virus 1 | 5 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | SARS-CoV-2 | 3 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | Middle East respiratory syndrome-related coronavirus | 2 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | Human coronavirus OC43 | 2 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | MT2 | 1 |
| 33929200 | 10.1021/acs.jmedchem.1c00258 | RD | 1 |
Data from ChEMBL 36 via Core Engine