Compound Detail
CHEMBL33996
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Basic Information
| ChEMBL ID | CHEMBL33996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHTVWBASZDVUGP-KPKJPENVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.09
ALogP
5
HBA
3
HBD
95.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Ki | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 15848.93 | nM | 4.8 | Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimu... | 6131129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131129 | 10.1021/jm00356a005 | Canis familiaris | 2 |
| 6131129 | 10.1021/jm00356a005 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine