Compound Detail
CHEMBL4794692
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/C(=O)NCCNC(=O)CCl)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4794692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRTFRUYQUIDBPR-UFTMZEDQSA-N |
| Parent Compound | CHEMBL4803933 |
| Active Moiety | CHEMBL4803933 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
636.1
MW (Da)
2.07
ALogP
5
HBA
7
HBD
187.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.1
Ki 1 meas. best 10.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 10.28 | 10.28 | 0.1 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 0.05248 | nM | 10.28 | Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells by radiolig... | 33479634 |
| Neuropeptide Y receptor type 1 | IC50 | = | 0.07943 | nM | 10.1 | Antagonist activity at Y1 receptor in human HEL cells assessed as reduction in p... | 33479634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479634 | 10.1039/c9md00538b | Neuropeptide Y receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine