Compound Detail
CHEMBL213871
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Basic Information
| ChEMBL ID | CHEMBL213871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIACCWNWDXAFJI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
554.9
MW (Da)
1.29
ALogP
8
HBA
2
HBD
43.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.16 | 5.16 | 6980.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.63 | 4.63 | 23200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 6980.0 | nM | 5.16 | Antiviral activity against HIV1 3B assessed as reduction in cytopathic effect in... | 17034122 |
| Human immunodeficiency virus 2 | EC50 | = | 23200.0 | nM | 4.63 | Antiviral activity against HIV2 ROD assessed as reduction in cytopathic effect i... | 17034122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034122 | 10.1021/jm0607810 | MT4 | 3 |
| 17034122 | 10.1021/jm0607810 | C-X-C chemokine receptor type 4 | 1 |
| 17034122 | 10.1021/jm0607810 | Human immunodeficiency virus 1 | 1 |
| 17034122 | 10.1021/jm0607810 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine