Compound Detail
CHEMBL262601
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Basic Information
| ChEMBL ID | CHEMBL262601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSIIPKSANRIGS-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
2.18
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.16
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.16 | 4.16 | 69250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 69250.0 | nM | 4.16 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19053778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731689 | 10.1039/d3md00242j | Bifunctional dihydrofolate reductase-thymidylate synthase | 3 |
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 18226912 | 10.1016/j.bmc.2007.12.034 | Unchecked | 1 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
| 26154240 | 10.1016/j.bmc.2015.06.042 | Pleurotus ostreatus | 1 |
| 26154240 | 10.1016/j.bmc.2015.06.042 | Aspergillus niger | 1 |
| 26154240 | 10.1016/j.bmc.2015.06.042 | Curvularia lunata | 1 |
| 37731689 | 10.1039/d3md00242j | Unchecked | 1 |
| 37731689 | 10.1039/d3md00242j | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine