Compound Detail
CHEMBL1774204
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
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL1774204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVMJSGGZULFVCZ-XMMPIXPASA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
2.05
ALogP
4
HBA
7
HBD
175.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.42
Ki 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 9.6 | 9.6 | 0.2 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 9.42 | 9.29 | 0.4 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL2587 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL2548 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 0.25 | nM | 9.6 | Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells | 21493077 |
| Neuropeptide Y receptor type 1 | IC50 | = | 0.38 | nM | 9.42 | Radioligand binding assay (NPY1R, SK-N-MC) | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 0.69 | nM | 9.16 | Radioligand binding assay (NPY1R, BHK) | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 0.72 | nM | 9.14 | Radioligand binding assay (NPY1R, HEK293, rat) | - |
| Neuropeptide Y receptor type 4 | IC50 | = | 12300.0 | nM | 4.91 | Radioligand binding assay (human NPY4R, CHO cells) | - |
| Neuropeptide Y receptor type 5 | IC50 | = | 21000.0 | nM | 4.68 | Radioligand binding assay (rat NPY5R, CHO cells) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5463723 | Unchecked | 10 |
| - | 10.6019/CHEMBL5463723 | Neuropeptide Y receptor type 2 | 4 |
| - | 10.6019/CHEMBL5463723 | D(2) dopamine receptor | 3 |
| - | 10.6019/CHEMBL5463723 | Gamma-aminobutyric acid receptor subunit alpha-1 | 3 |
| - | 10.6019/CHEMBL5463723 | D(1A) dopamine receptor | 3 |
| - | 10.6019/CHEMBL5463723 | Neuropeptide Y receptor type 1 | 3 |
| - | 10.6019/CHEMBL5463723 | 5-hydroxytryptamine receptor 1A | 2 |
| - | 10.6019/CHEMBL5463723 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Beta-1 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Androgen receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Neuropeptide Y receptor type 5 | 2 |
| - | 10.6019/CHEMBL5463723 | Adenosine receptor A2a | 2 |
| - | 10.6019/CHEMBL5463723 | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| - | 10.6019/CHEMBL5463723 | Endothelin-1 receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL5463723 | Kappa-type opioid receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Glucocorticoid receptor | 2 |
| - | 10.6019/CHEMBL5463723 | Tyrosine-protein kinase Lck | 2 |
| 24074877 | 10.1016/j.bmc.2013.08.065 | Neuropeptide Y receptor type 4 | 2 |
Data from ChEMBL 36 via Core Engine