Compound Detail
CHEMBL583135
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Basic Information
| ChEMBL ID | CHEMBL583135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMQNZKSRUGIGNM-UYRXBGFRSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
5.74
ALogP
5
HBA
1
HBD
70.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.48 | 7.038 | 33.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 33.0 | nM | 7.48 | Antiviral activity against HIV1 isolate 94UG103 replication in human PBMC assess... | 19746983 |
| Human immunodeficiency virus 1 | EC50 | = | 64.0 | nM | 7.19 | Antiviral activity against HIV1 3B replication in human MT2 cells exposed to lig... | 19746983 |
| Human immunodeficiency virus 1 | EC50 | = | 74.0 | nM | 7.13 | Antiviral activity against HIV1 3B infected in human MT2 cells assessed as inhib... | 21190369 |
| Human immunodeficiency virus 1 | EC50 | = | 78.0 | nM | 7.11 | Antiviral activity against HIV1 3B replication in human MT2 cells under dark con... | 19746983 |
| Human immunodeficiency virus 1 | EC50 | = | 521.0 | nM | 6.28 | Antiviral activity against HIV1 isolate 92US657 infected in human MT2 cells asse... | 21190369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19746983 | 10.1021/jm900450n | Human immunodeficiency virus 1 | 6 |
| 21190369 | 10.1021/jm101014v | Human immunodeficiency virus 1 | 2 |
| 19746983 | 10.1021/jm900450n | MT2 | 1 |
| 19746983 | 10.1021/jm900450n | Unchecked | 1 |
| 21190369 | 10.1021/jm101014v | MT2 | 1 |
| 21190369 | 10.1021/jm101014v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine