Compound Detail
CHEMBL1202936
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Basic Information
| ChEMBL ID | CHEMBL1202936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXQFIEXOTQMHET-UHFFFAOYSA-N |
| Parent Compound | CHEMBL98989 |
| Active Moiety | CHEMBL98989 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
2.21
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 7.4 | 7.4 | 39.8 | 1 |
| Histamine H1 receptor CHEMBL3943 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 39.81 | nM | 7.4 | In vitro for histamine H1 receptor antagonist activity against histamine-induced... | 1353796 |
| Histamine H1 receptor | IC50 | = | 20000.0 | nM | 4.7 | In vitro for histamine H1 receptor antagonist activity against histamine-induced... | 1353796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1353796 | 10.1021/jm00093a025 | Histamine H1 receptor | 2 |
Data from ChEMBL 36 via Core Engine