Compound Detail
CHEMBL91361
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Basic Information
| ChEMBL ID | CHEMBL91361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLWMSJUQGNHYRT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179642 |
| Active Moiety | CHEMBL1179642 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
1.54
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
EC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.7 | 6.7 | 199.5 | 2 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.44 | 6.44 | 366.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 200.0 | nM | 6.7 | In vitro binding affinity against rat histamine H3 receptor | 15115409 |
| Histamine H3 receptor | Ki | = | 199.53 | nM | 6.7 | Functional Histamine H3 receptor antagonistic activity in vitro assay on synapto... | 15115409 |
| Histamine H3 receptor | EC50 | = | 366.0 | nM | 6.44 | Effect on specific [35S]GTP-gamma-S, Binding to HEK293 cell membranes expressing... | 15115409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115409 | 10.1021/jm031065q | Histamine H3 receptor | 4 |
| 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