Compound Detail
CHEMBL1204396
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Basic Information
| ChEMBL ID | CHEMBL1204396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YENDJCRHFCXNQK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL404605 |
| Active Moiety | CHEMBL404605 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.55
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.55 | 5.55 | 2818.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2818.38 | nM | 5.55 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine