Compound Detail
CHEMBL439750
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Basic Information
| ChEMBL ID | CHEMBL439750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXUIKBBUGWIQMV-POYBYMJQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
0.08
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 45000.0 | nM | 4.35 | Effective dose to achieve 50% protection of MT-4 cells from acutely infected HIV... | 8642557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033586 | 10.1021/jm00109a012 | ATH-8 cell line | 3 |
| 1619614 | 10.1021/jm00091a001 | ADMET | 2 |
| 8642557 | 10.1021/jm9507338 | MT4 | 2 |
| 8642557 | 10.1021/jm9507338 | Unchecked | 2 |
| 8642557 | 10.1021/jm9507338 | C8166 | 2 |
Data from ChEMBL 36 via Core Engine