Compound Detail
CHEMBL20338
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Basic Information
| ChEMBL ID | CHEMBL20338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTYOOWFUEIQRHQ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.2
MW (Da)
3.51
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.5 | 7.43 | 31.6 | 3 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.93 | 6.93 | 118.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 31.62 | nM | 7.5 | Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral... | 8632428 |
| Histamine H3 receptor | Ki | = | 39.81 | nM | 7.4 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
| Histamine H3 receptor | Ki | = | 41.0 | nM | 7.39 | In vitro antagonistic activity tested against Histamine H3 receptor on synaptoso... | 8632428 |
| Histamine H3 receptor | Ki | = | 41.0 | nM | 7.39 | Antagonist activity at H3 receptor (unknown origin) | 27718472 |
| Histamine H4 receptor | Ki | = | 118.0 | nM | 6.93 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
| Histamine H4 receptor | Ki | = | 118.0 | nM | 6.93 | Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Ga... | 27718472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632428 | 10.1021/jm9504767 | Histamine H3 receptor | 3 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H4 receptor | 3 |
| 8632428 | 10.1021/jm9504767 | Histamine H2 receptor | 1 |
| 8632428 | 10.1021/jm9504767 | Histamine H1 receptor | 1 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine