Compound Detail
CHEMBL2070149
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 | CHEMBL2070149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXOWVMXRWKZXSK-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
5.34
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL3802 | IC50 | 7.39 | 7.39 | 40.5 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 40.5 | nM | 7.39 | Displacement of [125I]PYY from mouse NPY Y5 receptor | 22853998 |
| Cytochrome P450 1A2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of CYP1A2 | 22853998 |
| Cytochrome P450 3A4 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of CYP3A4 | 22853998 |
| Cytochrome P450 2C9 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of CYP2C9 | 22853998 |
| Cytochrome P450 2C19 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of CYP2C19 | 22853998 |
| Cytochrome P450 2D6 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of CYP2D6 | 22853998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22853998 | 10.1016/j.bmcl.2012.07.020 | No relevant target | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Cytochrome P450 3A4 | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Cytochrome P450 2D6 | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Cytochrome P450 2C9 | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Cytochrome P450 2C19 | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Cytochrome P450 1A2 | 1 |
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine