Compound Detail
CHEMBL301711
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Basic Information
| ChEMBL ID | CHEMBL301711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICNKLVARUWKVTN-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.27
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Ileum CHEMBL613680 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 300.0 | nM | 6.52 | Negative inotropic activity in guinea pig left atrium assessed as decrease in at... | 18754582 |
| Human immunodeficiency virus 1 | EC50 | = | 1510.0 | nM | 5.82 | In vitro antiviral activity in Phytohemagglutininin stimulated human PBM cells i... | 2033597 |
| Ileum | IC50 | = | 20300.0 | nM | 4.69 | Vasorelaxant activity in K+-depolarized guinea pig ileum longitudinal smooth mus... | 18754582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18754582 | 10.1021/jm800151n | NON-PROTEIN TARGET | 3 |
| 18754582 | 10.1021/jm800151n | Ileum | 2 |
| 2033597 | 10.1021/jm00109a031 | Human immunodeficiency virus 1 | 1 |
| 2033597 | 10.1021/jm00109a031 | ADMET | 1 |
| 18754582 | 10.1021/jm800151n | Aorta | 1 |
Data from ChEMBL 36 via Core Engine