Compound Detail
CHEMBL1744100
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
COc1ccccc1N1CCN(CCC(=O)NC(c2ccccc2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1744100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWUUZJSSXRQSB-BTJKTKAUSA-N |
| Parent Compound | CHEMBL74334 |
| Active Moiety | CHEMBL74334 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.65
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 1000.0 | nM | 6.0 | Alpha adrenergic receptor activity in rat aorta | 2903931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903931 | 10.1021/jm00120a007 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine