Compound Detail
CHEMBL4452317
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Cc1cc(C#N)cc(C)c1Oc1nc(N[C@H]2CCN(Cc3ccc(S(N)(=O)=O)cc3)C2)nc2ccsc12
Basic Information
| ChEMBL ID | CHEMBL4452317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXEUYRGZAACKDY-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
4.31
ALogP
9
HBA
2
HBD
134.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 104.0 | nM | 6.98 | 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