Compound Detail
CHEMBL1946511
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CSCC(N)=O)C(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1946511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIDFGYRPTPRTDJ-CGJXMUHOSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
2000.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.19 | 5.074 | 650.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 650.0 | nM | 6.19 | Antiviral activity against T-cell line-tropic HIV1 NL4-3 infected in human MT4 c... | 26094944 |
| Human immunodeficiency virus 1 | EC50 | = | 8100.0 | nM | 5.09 | Antiviral activity against R5 tropic HIV1 JR-CSF in PM1/CCR5 cells assessed as p... | 22277590 |
| Human immunodeficiency virus 1 | EC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against R5 tropic HIV1 NL(AD8) in PM1/CCR5 cells assessed as ... | 22277590 |
| Human immunodeficiency virus 1 | EC50 | = | 22000.0 | nM | 4.66 | Antiviral activity against T-cell line-tropic HIV1 NL4-3 infected in human MT4 c... | 26094944 |
| Human immunodeficiency virus 1 | EC50 | = | 29000.0 | nM | 4.54 | Antiviral activity against X4 tropic HIV1 NL4-3 in MT4 cells assessed as protect... | 22277590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26094944 | 10.1016/j.bmc.2015.06.020 | Human immunodeficiency virus 1 | 5 |
| 26094944 | 10.1016/j.bmc.2015.06.020 | MT4 | 4 |
| 22277590 | 10.1016/j.bmc.2011.12.055 | Human immunodeficiency virus 1 | 3 |
| 22277590 | 10.1016/j.bmc.2011.12.055 | MT4 | 1 |
| 22277590 | 10.1016/j.bmc.2011.12.055 | No relevant target | 1 |
| 26094944 | 10.1016/j.bmc.2015.06.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine