Compound Detail
CHEMBL184717
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Basic Information
| ChEMBL ID | CHEMBL184717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKIVGPUCUWMOIH-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
3.97
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.3 | 7.23 | 50.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.46 | 6.46 | 349.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells | 15267235 |
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibitory activity against Melanin-concentrating hormone receptor 1 | 15225734 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 58.0 | nM | 7.24 | Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 71.0 | nM | 7.15 | Tested for MCH-1 induced [Ca2+] release from CHO cells transfected with human MC... | 15225734 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 349.0 | nM | 6.46 | Inhibitory activity against human 5-HT2B receptor | 15225734 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 970.0 | nM | 6.01 | Inhibitory activity against human 5-HT2C receptor | 15225734 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 2180.0 | nM | 5.66 | Inhibitory activity against human 5-HT2A receptor | 15225734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Unchecked | 2 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Melanin-concentrating hormone receptor 1 | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2A | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2B | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | 5-hydroxytryptamine receptor 2C | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | D(2) dopamine receptor | 1 |
| 15225734 | 10.1016/j.bmcl.2004.05.051 | Alpha-1A adrenergic receptor | 1 |
| 15267235 | 10.1021/jm040762v | Melanin-concentrating hormone receptor 1 | 1 |
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine