Compound Detail
CHEMBL90968
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Basic Information
| ChEMBL ID | CHEMBL90968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNNLJQXQQVJKAN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179637 |
| Active Moiety | CHEMBL1179637 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
1.77
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.64 | 6.62 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 230.0 | nM | 6.64 | In vitro binding affinity against rat histamine H3 receptor | 15115409 |
| Histamine H3 receptor | Ki | = | 251.19 | nM | 6.6 | Functional Histamine H3 receptor antagonistic activity in vitro assay on synapto... | 15115409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115409 | 10.1021/jm031065q | Histamine H3 receptor | 2 |
| 15115409 | 10.1021/jm031065q | Mus musculus | 1 |
| 15115409 | 10.1021/jm031065q | Histamine H2 receptor | 1 |
| 15115409 | 10.1021/jm031065q | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine