Compound Detail
CHEMBL1946343
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CSCC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1946343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYBFTDBLLJCEAY-PHIZCTSMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2012.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.0 | 5.385 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against R5 tropic HIV1 NL(AD8) in PM1/CCR5 cells assessed as ... | 22277590 |
| Human immunodeficiency virus 1 | EC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against X4 tropic HIV1 NL4-3 in MT4 cells assessed as protect... | 22277590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22277590 | 10.1016/j.bmc.2011.12.055 | Human immunodeficiency virus 1 | 3 |
| 22277590 | 10.1016/j.bmc.2011.12.055 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine