Compound Detail
CHEMBL268229
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Basic Information
| ChEMBL ID | CHEMBL268229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNQIOISZPFVUFG-RXMQYKEDSA-N |
4
Targets
33
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
125.2
MW (Da)
0.30
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 24 meas. best 10.07
EC50 6 meas. best 9.5
IC50 2 meas. best 8.82
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 10.07 | 9.3825 | 0.1 | 4 |
| Histamine H3 receptor CHEMBL264 | EC50 | 9.5 | 8.655 | 0.3 | 4 |
| Histamine H3 receptor CHEMBL264 | Ki | 9.26 | 8.402 | 0.6 | 15 |
| Histamine H3 receptor CHEMBL4124 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.84 | 6.7267 | 146.0 | 3 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.2 | 6.075 | 631.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine