Compound Detail
CHEMBL326446
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Basic Information
| ChEMBL ID | CHEMBL326446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWKYSCYHMCRSNH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.36
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | IC50 | = | 10000.0 | nM | 5.0 | Ability to block replication of HIV-1 virus in mock infected MT-4 cells | 1956037 |
| Human immunodeficiency virus 1 | IC50 | = | 44000.0 | nM | 4.36 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1995896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995896 | 10.1021/jm00106a040 | MT4 | 2 |
| 1956037 | 10.1021/jm00115a007 | MT4 | 1 |
| 1995896 | 10.1021/jm00106a040 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine