Compound Detail
CHEMBL112027
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Basic Information
| ChEMBL ID | CHEMBL112027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISAXNAOEOZWQDA-BTJKTKAUSA-N |
| Parent Compound | CHEMBL1180035 |
| Active Moiety | CHEMBL1180035 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.25
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 5.1 | nM | 8.29 | Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarizat... | 10966752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10966752 | 10.1021/jm000971p | Histamine H3 receptor | 1 |
| 10966752 | 10.1021/jm000971p | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine