Compound Detail
CHEMBL87542
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Basic Information
| ChEMBL ID | CHEMBL87542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNKXXZUAGZJIDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
5.04
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.77
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 150.0 | nM | 6.82 | Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells | 11472208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472208 | 10.1021/jm010853h | Human immunodeficiency virus 1 | 4 |
| 11472208 | 10.1021/jm010853h | MT4 | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 21755950 | 10.1021/jm200734j | A-375 | 1 |
Data from ChEMBL 36 via Core Engine