Compound Detail
CHEMBL300859
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Basic Information
| ChEMBL ID | CHEMBL300859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLALWUIZVYNYAH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
3.14
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.02 | 4.02 | 95100.0 | 1 |
| MT4 CHEMBL388 | EC50 | 4.02 | 4.02 | 95100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 95100.0 | nM | 4.02 | Effective concentration (anti-HIV activity) required to reduce HIV-1 induced cyt... | 12431069 |
| MT4 | EC50 | = | 95100.0 | nM | 4.02 | Anti-HIV activity to reduce HIV-1-induced cytopathic effect by 50% in MT-4 cells... | 11425562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425562 | 10.1016/s0960-894x(01)00304-3 | MT4 | 3 |
| 12431069 | 10.1021/jm020977+ | Human immunodeficiency virus 1 | 2 |
| 12431069 | 10.1021/jm020977+ | Unchecked | 1 |
| 11425562 | 10.1016/s0960-894x(01)00304-3 | Unchecked | 1 |
| 18687505 | 10.1016/j.ejmech.2008.05.036 | Human immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine