Compound Detail
CHEMBL300632
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COc1cc2nc(N3CCN(c4nc(Oc5ccccc5)nc(Oc5ccccc5)n4)CC3)nc(N)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL300632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLOSBDXOSBTCPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
4.33
ALogP
12
HBA
1
HBD
133.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 0.87 | nM | 9.06 | Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-praz... | 2888896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2888896 | 10.1021/jm00393a019 | Rattus norvegicus | 2 |
| 2888896 | 10.1021/jm00393a019 | Adrenergic receptor alpha-1 | 1 |
| 2888896 | 10.1021/jm00393a019 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine