Compound Detail
CHEMBL577904
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Basic Information
| ChEMBL ID | CHEMBL577904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFQWOMAFZMZYOX-FZNQNYSPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.53
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 120.0 | nM | 6.92 | Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cell... | 19773162 |
| Alpha-2A adrenergic receptor | IC50 | = | 210.0 | nM | 6.68 | Displacement of [3H]MK-912 from human adrenergic alpha2A receptor | 19773162 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 320.0 | nM | 6.5 | Displacement of [3H]rauwolsine from human 5HT2B receptor | 19773162 |
| Histamine H1 receptor | IC50 | = | 920.0 | nM | 6.04 | Displacement of [3H]pyrilamine from human histamine H1 receptor | 19773162 |
| Alpha-1A adrenergic receptor | IC50 | = | 3600.0 | nM | 5.44 | Displacement of [3H]prazosin from human adrenergic alpha1A receptor | 19773162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19773162 | 10.1016/j.bmcl.2009.09.003 | Melanin-concentrating hormone receptor 1 | 1 |
| 19773162 | 10.1016/j.bmcl.2009.09.003 | 5-hydroxytryptamine receptor 2B | 1 |
| 19773162 | 10.1016/j.bmcl.2009.09.003 | Alpha-2A adrenergic receptor | 1 |
| 19773162 | 10.1016/j.bmcl.2009.09.003 | Alpha-1A adrenergic receptor | 1 |
| 19773162 | 10.1016/j.bmcl.2009.09.003 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine