Compound Detail
CHEMBL2447987
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Basic Information
| ChEMBL ID | CHEMBL2447987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJVVSMBVDXMXEX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL94408 |
| Active Moiety | CHEMBL94408 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
4.42
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 480.0 | nM | 6.32 | Antagonist potency against human histamine H3 receptor expressed in CHO cells wa... | 15139761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139761 | 10.1021/jm031028z | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine