Compound Detail
CHEMBL194691
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Basic Information
| ChEMBL ID | CHEMBL194691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTECJAHWHNJGGJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.36
ALogP
6
HBA
2
HBD
75.7
PSA (Ų)
0.41
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.06 | 7.5667 | 8.7 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 8.7 | nM | 8.06 | Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-ce... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 21.0 | nM | 7.68 | Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 109.0 | nM | 6.96 | Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 ce... | 16134937 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 4700.0 | nM | 5.33 | Inhibitory concentration against human 5-hydroxytryptamine 2C receptor expressed... | 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 |
Data from ChEMBL 36 via Core Engine