Compound Detail
CHEMBL194408
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Basic Information
| ChEMBL ID | CHEMBL194408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWSBSBDRADXORX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
4.87
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 2 CHEMBL5038 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.23 | 7.8133 | 5.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 2 | IC50 | = | 4.5 | nM | 8.35 | Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-c... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 5.9 | nM | 8.23 | Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-ce... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 9.4 | nM | 8.03 | Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 66.0 | nM | 7.18 | Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 ce... | 16134937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 4 |
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 2 | 1 |
| 16134937 | 10.1021/jm050103y | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine