Compound Detail
CHEMBL4860528
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Basic Information
| ChEMBL ID | CHEMBL4860528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRQMUCDHVVOENY-UHFFFAOYSA-N |
21
Targets
33
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
1.77
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 14 meas. best 10.28
EC50 12 meas. best 8.24
Ki 7 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Kd | 10.28 | 10.28 | 0.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 10.15 | 10.15 | 0.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 10.12 | 10.12 | 0.1 | 1 |
| D(4) dopamine receptor CHEMBL219 | Kd | 10.11 | 10.11 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 10.1 | 10.1 | 0.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | Kd | 10.05 | 10.05 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 10.0 | 10.0 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Kd | 9.92 | 9.92 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 9.77 | 9.77 | 0.2 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Kd | 9.64 | 9.64 | 0.2 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Kd | 9.62 | 9.62 | 0.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Kd | 9.6 | 9.6 | 0.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Kd | 9.22 | 9.22 | 0.6 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Histamine H2 receptor CHEMBL2882 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 6.96 | 6.96 | 109.7 | 1 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 6.75 | 6.75 | 177.8 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.59 | 6.59 | 257.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.35 | 6.35 | 446.7 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.05 | 6.05 | 891.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.99 | 5.99 | 1023.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 5.98 | 5.98 | 1047.1 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | EC50 | 5.69 | 5.69 | 2041.7 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | EC50 | 5.4 | 5.4 | 3981.1 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.37 | 5.37 | 4265.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 5.18 | 5.18 | 6606.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 4.98 | 4.98 | 10471.3 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 4.97 | 4.97 | 10715.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 4.93 | 4.93 | 11749.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 4.66 | 4.66 | 21877.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine