Compound Detail
CHEMBL6343
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COc1cc2nc(N3CCN(C(=O)/C=C/c4ccc(NC(=O)CBr)cc4)CC3)nc(N)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL6343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIQUTGGWWJYKFM-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
555.4
MW (Da)
2.92
ALogP
8
HBA
2
HBD
122.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.17 | 7.17 | 67.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 67.61 | nM | 7.17 | Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat... | 2535878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2535878 | 10.1021/jm00121a020 | Adrenergic receptor alpha-1 | 2 |
Data from ChEMBL 36 via Core Engine