Compound Detail
CHEMBL198361
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Basic Information
| ChEMBL ID | CHEMBL198361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTVKXJXECUDEMU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
4.30
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.8 | 7.7775 | 1.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1.6 | nM | 8.8 | Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-ce... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 ce... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell ... | 22487182 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 82.0 | nM | 7.09 | Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells | 16134937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 3 |
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 2 | 1 |
| 16134937 | 10.1021/jm050103y | 5-hydroxytryptamine receptor 2C | 1 |
| 16134937 | 10.1021/jm050103y | No relevant target | 1 |
| 22487182 | 10.1016/j.bmcl.2012.03.050 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine