Compound Detail
CHEMBL193438
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
CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL193438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWUCPBLQECHRFK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
616.5
MW (Da)
5.55
ALogP
7
HBA
2
HBD
96.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.85 | 6.7833 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 2.7 | nM | 8.57 | Inhibitory activity against constitutively activated human Neuropeptide Y recept... | 15863317 |
| Alpha-2A adrenergic receptor | IC50 | = | 7.7 | nM | 8.11 | Inhibitory activity against constitutively activated human Alpha-2A adrenergic r... | 15863317 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against human wild type Melanin concentrating hormone recept... | 15863317 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibitory activity against mutated constitutively activated human Melanin conce... | 15863317 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against human wild type Melanin concentrating hormone recept... | 15863317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863317 | 10.1016/j.bmcl.2005.03.052 | Melanin-concentrating hormone receptor 1 | 3 |
| 15863317 | 10.1016/j.bmcl.2005.03.052 | Neuropeptide Y receptor type 5 | 1 |
| 15863317 | 10.1016/j.bmcl.2005.03.052 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine