Compound Detail
CHEMBL372222
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
Cc1ccc(-c2cc3[nH]c(=O)n(CCN4CCN(c5ccccc5Cl)CC4)c(=O)c3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL372222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSHAQKQNBSNNEJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
3.47
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.76 | 7.76 | 17.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 17.26 | nM | 7.76 | Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor from rat corte... | 15801833 |
| Adrenergic receptor alpha-1 | Ki | = | 17.26 | nM | 7.76 | Binding affinity to adrenergic alpha-1 receptor | 16216506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Unchecked | 4 |
| 15801833 | 10.1021/jm040870h | Unchecked | 2 |
| 15801833 | 10.1021/jm040870h | Adrenergic receptor alpha-1 | 1 |
| 15801833 | 10.1021/jm040870h | 5-hydroxytryptamine receptor 1A | 1 |
| 15801833 | 10.1021/jm040870h | D(1A) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | D(2) dopamine receptor | 1 |
| 15801833 | 10.1021/jm040870h | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Adrenergic receptor alpha-1 | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | 5-hydroxytryptamine receptor 1A | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | D(1A) dopamine receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | D(2) dopamine receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Alpha-1A adrenergic receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Alpha-1B adrenergic receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Alpha-1D adrenergic receptor | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Alpha adrenergic receptor 1A and 1D | 1 |
| 16216506 | 10.1016/j.bmcl.2005.09.027 | Alpha adrenergic receptor 1A and 1B | 1 |
Data from ChEMBL 36 via Core Engine