Compound Detail
CHEMBL2070140
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 | CHEMBL2070140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWKAGABGOWTMNM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
5.08
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL3802 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 0.43 | nM | 9.37 | Displacement of [125I]PYY from mouse NPY Y5 receptor | 22853998 |
| Cytochrome P450 1A2 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of CYP1A2 | 22853998 |
| Cytochrome P450 3A4 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of CYP3A4 | 22853998 |
| Cytochrome P450 2C9 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of CYP2C9 | 22853998 |
| Cytochrome P450 2C19 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of CYP2C19 | 22853998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22853998 | 10.1016/j.bmcl.2012.07.020 | Liver microsomes | 2 |
| 23025998 | 10.1016/j.bmcl.2012.09.025 | Liver microsomes | 2 |
| 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