Compound Detail
CHEMBL4587500
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Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCCN(Cc3cccc(C(N)=O)c3)CC2)nc2ccsc12
Basic Information
| ChEMBL ID | CHEMBL4587500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRZCXDKFLBWYGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
5.54
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.99 | 7.99 | 10.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 10.3 | nM | 7.99 | Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells after 2 day... | 30624934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30624934 | 10.1021/acs.jmedchem.8b01656 | Unchecked | 1 |
| 30624934 | 10.1021/acs.jmedchem.8b01656 | TZM | 1 |
| 30624934 | 10.1021/acs.jmedchem.8b01656 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine