Compound Detail
CHEMBL194837
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Basic Information
| ChEMBL ID | CHEMBL194837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKDBTHSYQZTDAJ-UHFFFAOYSA-N |
12
Targets
15
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
4.81
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Melanin-concentrating hormone receptor 2 CHEMBL5038 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.07 | 6.55 | 85.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.6 | 5.59 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 4 |
| 16134937 | 10.1021/jm050103y | 5-hydroxytryptamine receptor 2C | 2 |
| 16134937 | 10.1021/jm050103y | Histamine H1 receptor | 1 |
| 16134937 | 10.1021/jm050103y | Histamine H2 receptor | 1 |
| 16134937 | 10.1021/jm050103y | Muscarinic acetylcholine receptor M1 | 1 |
| 16134937 | 10.1021/jm050103y | Muscarinic acetylcholine receptor M2 | 1 |
| 16134937 | 10.1021/jm050103y | 5-hydroxytryptamine receptor 1B | 1 |
| 16134937 | 10.1021/jm050103y | 5-hydroxytryptamine receptor 2A | 1 |
| 16134937 | 10.1021/jm050103y | Sodium-dependent dopamine transporter | 1 |
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 2 | 1 |
| 16134937 | 10.1021/jm050103y | Adrenergic receptor alpha-2 | 1 |
| 16134937 | 10.1021/jm050103y | D(1A) dopamine receptor | 1 |
| 16134937 | 10.1021/jm050103y | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine