Compound Detail
CHEMBL402297
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Basic Information
| ChEMBL ID | CHEMBL402297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNPAPCMIYUFOOZ-AYIJWJHJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
4.22
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 9.8 | 9.8 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.16 | nM | 9.8 | Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | 18194865 |
| Histamine H3 receptor | Ki | = | 0.1585 | nM | 9.8 | Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex | 18194865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18194865 | 10.1016/j.bmcl.2007.12.059 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine