Compound Detail
CHEMBL1908211
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Basic Information
| ChEMBL ID | CHEMBL1908211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDFLTYHTFPTIGX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
3.33
ALogP
1
HBA
0
HBD
4.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.28
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2B1 CHEMBL3335 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
| Cytochrome P450 2B4 CHEMBL1743542 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
| G-protein coupled receptor 3 CHEMBL4523856 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2B1 | Ki | = | 5200.0 | nM | 5.28 | Mechanism based inhibition of rat cytochrome P450 CYP2B1 | 16248836 |
| Cytochrome P450 2B4 | Ki | = | 23000.0 | nM | 4.64 | Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 | 16248836 |
| G-protein coupled receptor 3 | EC50 | = | 40000.0 | nM | 4.4 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in... | 37541631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 2B1 | 2 |
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 2B4 | 2 |
| 37541631 | 10.1016/j.bmcl.2023.129427 | G-protein coupled receptor 3 | 2 |
Data from ChEMBL 36 via Core Engine