Compound Detail
CHEMBL5201983
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
[2H]c1c([2H])c([2H])c([C@@H]2C[C@@H](N3CCNC(C)(C)C3)c3cc(Cl)ccc32)c([2H])c1[2H]
Basic Information
| ChEMBL ID | CHEMBL5201983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBCSWIXKXHSYBN-LSQWYULJSA-N |
| Parent Compound | CHEMBL5222597 |
| Active Moiety | CHEMBL5222597 |
20
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
340.9
MW (Da)
4.60
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 20 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.41 | 9.41 | 0.4 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.14 | 9.14 | 0.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.29 | 6.29 | 510.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 6.18 | 6.18 | 660.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35809818 | 10.1016/j.bmcl.2022.128879 | D(4) dopamine receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Histamine H1 receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Sodium-dependent dopamine transporter | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-2C adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-2B adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-2A adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-1D adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-1B adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | Alpha-1A adrenergic receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | D(1B) dopamine receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 1A | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | D(3) dopamine receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | D(2) dopamine receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | D(1A) dopamine receptor | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 7 | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 6 | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 2C | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 2B | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 2A | 1 |
| 35809818 | 10.1016/j.bmcl.2022.128879 | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine