Compound Detail
CHEMBL4643522
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N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4643522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXRZJMKOFBANST-ZIUUJSQJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
869.0
MW (Da)
-4.46
ALogP
12
HBA
18
HBD
440.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 6.73 | 6.725 | 186.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 186.21 | nM | 6.73 | Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-ex... | 32614182 |
| Neuropeptide Y receptor type 4 | Ki | = | 190.0 | nM | 6.72 | Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-ex... | 32614182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32614182 | 10.1021/acs.jmedchem.0c00426 | Neuropeptide Y receptor type 4 | 8 |
| 32614182 | 10.1021/acs.jmedchem.0c00426 | Neuropeptide Y receptor type 1 | 2 |
| 32614182 | 10.1021/acs.jmedchem.0c00426 | Neuropeptide Y receptor type 2 | 2 |
| 32614182 | 10.1021/acs.jmedchem.0c00426 | Neuropeptide Y receptor type 5 | 2 |
Data from ChEMBL 36 via Core Engine