Compound Detail
CHEMBL2447998
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Basic Information
| ChEMBL ID | CHEMBL2447998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPSATKXZENVNBK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL120626 |
| Active Moiety | CHEMBL120626 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.7
MW (Da)
1.10
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.8 | 6.7 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 160.0 | nM | 6.8 | Displacement of [3H]prazosin from alpha-1-adrenergic receptor of calf neocortica... | 6298426 |
| Unchecked | Kd | = | 250.0 | nM | 6.6 | Displacement of [3H]clonidine from alpha-2-adrenergic receptor of calf neocortic... | 6298426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6298426 | 10.1021/jm00357a009 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine