Compound Detail
CHEMBL3094519
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Cc1cc(C)c(Oc2cc(NC3CCN(Cc4ccc(S(N)(=O)=O)cc4)CC3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL3094519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJLHYEUMHDFALT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
597.8
MW (Da)
5.53
ALogP
9
HBA
3
HBD
146.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 190.0 | nM | 6.72 | Antiviral activity against HIV1 3B infected in human MT-4 cells assessed as prot... | 24239481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239481 | 10.1016/j.bmcl.2013.10.059 | Unchecked | 2 |
| 24239481 | 10.1016/j.bmcl.2013.10.059 | Human immunodeficiency virus 1 | 2 |
| 24239481 | 10.1016/j.bmcl.2013.10.059 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine