Compound Detail
CHEMBL2110370
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Basic Information
| ChEMBL ID | CHEMBL2110370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BANYJBHWTOJQDU-GDLZYMKVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.14
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.0
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL4554 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 5.12 | 5.12 | 7501.1 | 1 |
| Neuromedin-K receptor CHEMBL3799 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 0.1 | nM | 10.0 | Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin recep... | - |
| Substance-K receptor | Ki | = | 0.3162 | nM | 9.5 | Binding affinity against Tachykinin receptor 2 of human expressed in chinese ham... | - |
| Glucagon-like peptide 1 receptor | EC50 | = | 7501.09 | nM | 5.12 | GPCR PRESTO-Tango dose-response in antagonist mode with target: GLP1R | - |
| Neuromedin-K receptor | Ki | = | 19952.62 | nM | 4.7 | Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in gui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.1016/S0960-894X(01)80541-2 | Substance-K receptor | 3 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine