Compound Detail
CHEMBL184581
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Basic Information
| ChEMBL ID | CHEMBL184581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOUVVUBNFWFWNF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.89
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.52 | 8.335 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 328.0 | ng.hr.mL-1 | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
| T1/2 | 1.6 | 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 | = | 3.0 | nM | 8.52 | Concentration required to inhibit binding of [125I]-MCH radioligand to human Mel... | 15341943 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 7.0 | nM | 8.15 | Concentration required to inhibit 50% of melanin-concentrating hormone induced [... | 15341943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341943 | 10.1016/j.bmcl.2004.07.034 | ADMET | 5 |
| 15341943 | 10.1016/j.bmcl.2004.07.034 | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine