Compound Detail
CHEMBL1202943
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Basic Information
| ChEMBL ID | CHEMBL1202943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYZARMMYRVLGPS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL328201 |
| Active Moiety | CHEMBL328201 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.12
ALogP
5
HBA
0
HBD
66.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 6309.57 | nM | 5.2 | 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