Compound Detail
CHEMBL555983
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
Basic Information
| ChEMBL ID | CHEMBL555983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRKMDKHBVDNSMQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL153576 |
| Active Moiety | CHEMBL153576 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
2.03
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 7.18 | 7.18 | 66.1 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 5.37 | 5.37 | 4265.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 66.07 | nM | 7.18 | Alpha-1-Adrenoceptor blocking activity as antagonism of (-)-norepinephrine induc... | 2863379 |
| Rattus norvegicus | Kd | = | 4265.8 | nM | 5.37 | Alpha-2-adrenoceptor blocking activity was determined by antagonism of clonidine... | 2863379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3941410 | 10.1021/jm00151a003 | Rattus norvegicus | 2 |
| 2863379 | 10.1021/jm00147a042 | Adrenergic receptor alpha-1 | 1 |
| 2863379 | 10.1021/jm00147a042 | Rattus norvegicus | 1 |
| 2863379 | 10.1021/jm00147a042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine