Compound Detail
CHEMBL441965
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Basic Information
| ChEMBL ID | CHEMBL441965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAJXFAVPCJPZCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.18
ALogP
5
HBA
4
HBD
137.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Ki | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 316.23 | nM | 6.5 | 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 | 4 |
| 2894467 | 10.1021/jm00398a028 | Rattus norvegicus | 3 |
| 6131129 | 10.1021/jm00356a005 | No relevant target | 2 |
| 2894467 | 10.1021/jm00398a028 | Histamine H2 receptor | 1 |
| 2894467 | 10.1021/jm00398a028 | ADMET | 1 |
| 2894467 | 10.1021/jm00398a028 | No relevant target | 1 |
| 8941388 | 10.1021/jm960163r | ADMET | 1 |
| 6131129 | 10.1021/jm00356a005 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine