Compound Detail
CHEMBL15887
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Basic Information
| ChEMBL ID | CHEMBL15887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNJJGTRJAAGQAD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
3.08
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 87.0 | nM | 7.06 | 50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic ... | 6142954 |
| Adrenergic receptor alpha-1 | IC50 | = | 24000.0 | nM | 4.62 | Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit t... | 6142954 |
| Tyrosine-protein kinase Fyn | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of peptide EPQ (pY) EEIPI binding to Fyn protein kinase SH2 domain | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142954 | 10.1021/jm00370a011 | Oryctolagus cuniculus | 1 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-1 | 1 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-2 | 1 |
| - | 10.1016/S0960-894X(96)00589-6 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine