Compound Detail
CHEMBL70329
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Basic Information
| ChEMBL ID | CHEMBL70329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSFPWNBIKBSHRL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
3.54
ALogP
4
HBA
2
HBD
98.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.48 | 7.24 | 33.0 | 2 |
| MT4 CHEMBL388 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 33.0 | nM | 7.48 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| MT4 | EC50 | = | 100.0 | nM | 7.0 | Effective concentration of the compound to inhibit HIV-1 replication in HIV-infe... | 15771411 |
| Human immunodeficiency virus 1 | IC50 | = | 100.0 | nM | 7.0 | 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 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
| 15771411 | 10.1021/jm040127p | MT4 | 1 |
Data from ChEMBL 36 via Core Engine