Compound Detail
CHEMBL2335167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2335167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVALUENWPLKUMZ-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.53
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.03
IC50 2 meas. best 6.67
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL2728 | EC50 | 7.03 | 7.015 | 92.4 | 2 |
| Beta-glucuronidase CHEMBL2728 | IC50 | 6.67 | 6.655 | 212.6 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.17 | 6.17 | 676.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | EC50 | = | 92.4 | nM | 7.03 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-glucuronidase | EC50 | = | 99.9 | nM | 7.0 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | IC50 | = | 212.6 | nM | 6.67 | Cell-Based Assay: PheG Assay: Two ß-glucuronidase activity assays were employed ... | - |
| Beta-glucuronidase | IC50 | = | 230.6 | nM | 6.64 | Activity Assay: PNPG Assay: Two ß-glucuronidase activity assays were employed to... | - |
| Beta-1 adrenergic receptor | Ki | = | 676.08 | nM | 6.17 | Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... | 23517028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517028 | 10.1021/jm400140q | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine