Compound Detail
CHEMBL72418
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Basic Information
| ChEMBL ID | CHEMBL72418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEAYWMAICPUKDU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.7
MW (Da)
4.57
ALogP
2
HBA
3
HBD
67.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| MT4 CHEMBL388 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 160.0 | nM | 6.8 | Effective concentration of the compound to inhibit HIV-1 replication in HIV-infe... | 15771411 |
| Human immunodeficiency virus 1 | IC50 | = | 160.0 | nM | 6.8 | Compound potency to achieve protection of MT-4 cells from HIV-1 cytopathicity | 11527703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11527703 | 10.1016/s0960-894x(01)00410-3 | Human immunodeficiency virus 1 | 1 |
| 15771411 | 10.1021/jm040127p | MT4 | 1 |
Data from ChEMBL 36 via Core Engine