Compound Detail
CHEMBL4877802
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CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4877802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YILKWIHJBDBPGT-QKUYTOGTSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
976.1
MW (Da)
-3.38
ALogP
13
HBA
19
HBD
472.9
PSA (Ų)
0.02
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.12
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 8.0 | 7.995 | 10.0 | 2 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 6.12 | 6.04 | 758.6 | 3 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | Ki | = | 10.23 | nM | 7.99 | Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 758.58 | nM | 6.12 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 4 | EC50 | = | 990.0 | nM | 6.0 | Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... | 34748345 |
| Neuropeptide Y receptor type 5 | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]propionyl-pNPY from human neuropeptide Y Y5 receptor in huma... | 34748345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 4 | 10 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Unchecked | 3 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 1 | 2 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 2 | 2 |
| 34748345 | 10.1021/acs.jmedchem.1c01574 | Neuropeptide Y receptor type 5 | 2 |
Data from ChEMBL 36 via Core Engine