Compound Detail
CHEMBL4160748
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Basic Information
| ChEMBL ID | CHEMBL4160748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYBZCKAQIIPSDS-UHFFFAOYSA-N |
7
Targets
12
Activities
3
Assay Types
3
PK Parameters
20
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
4.32
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.19
IC50 3 meas. best 5.51
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 6.19 | 6.19 | 650.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | EC50 | 6.19 | 6.19 | 649.0 | 2 |
| Metabotropic glutamate receptor 7 CHEMBL3879 | EC50 | 6.19 | 6.19 | 645.6 | 2 |
| Metabotropic glutamate receptor 8 CHEMBL2718 | EC50 | 5.58 | 5.58 | 2600.0 | 2 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 5.58 | 5.58 | 2600.0 | 2 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.51 | 5.51 | 3080.0 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.022 | - | Rattus norvegicus |
| Fu | 0.008 | - | Homo sapiens |
| Fu | 0.012 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine