Compound Detail
CHEMBL193583
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
Basic Information
| ChEMBL ID | CHEMBL193583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVDRAQMZKJWZBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.26
ALogP
5
HBA
2
HBD
58.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL4730 | IC50 | 6.52 | 6.52 | 299.0 | 1 |
| Melanin-concentrating hormone receptor CHEMBL2111437 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1160.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 674.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 299.0 | nM | 6.52 | Inhibitory concentration against Melanin-concentrating hormone receptor 1 in die... | 15911251 |
| Melanin-concentrating hormone receptor | IC50 | = | 1810.0 | nM | 5.74 | Inhibition of Melanin-concentrating hormone (MCH) mediated [Ca2+] release in IMR... | 15911251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911251 | 10.1016/j.bmcl.2005.03.114 | ADMET | 2 |
| 15911251 | 10.1016/j.bmcl.2005.03.114 | Melanin-concentrating hormone receptor 1 | 1 |
| 15911251 | 10.1016/j.bmcl.2005.03.114 | Melanin-concentrating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine