Compound Detail
CHEMBL360620
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Basic Information
| ChEMBL ID | CHEMBL360620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGVPVRLYSXAJMW-INIZCTEOSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.52 | 7.34 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1711.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1350.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1494.14 | nM | Mus musculus |
| Cmax | 503.55 | nM | Mus musculus |
| T1/2 | 6.5 | hr | Mus musculus |
| T1/2 | 8.3 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 30.0 | nM | 7.52 | Concentration required to inhibit 50% of melanin-concentrating hormone induced [... | 15341944 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 70.0 | nM | 7.16 | Concentration required to inhibit binding of [125I]MCH radioligand to human Mela... | 15341944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341944 | 10.1016/j.bmcl.2004.07.035 | ADMET | 6 |
| 15341944 | 10.1016/j.bmcl.2004.07.035 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine