Compound Detail
CHEMBL4872375
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Basic Information
| ChEMBL ID | CHEMBL4872375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMIAIPKXPWLPGV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.41
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL1941 | Ki | 6.16 | 6.16 | 691.8 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.89 | 5.89 | 1288.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.02 | 5.02 | 9549.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 4.96 | 4.96 | 10964.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 691.83 | nM | 6.16 | Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 i... | 33548637 |
| D(3) dopamine receptor | Ki | = | 1288.25 | nM | 5.89 | Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293... | 33548637 |
| D(2) dopamine receptor | Ki | = | 2511.89 | nM | 5.6 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... | 33548637 |
| Histamine H4 receptor | Ki | = | 9549.93 | nM | 5.02 | Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 ... | 33548637 |
| Histamine H3 receptor | Ki | = | 10964.78 | nM | 4.96 | Displacement of [3H]UR-P129 from human histamine H3 receptor expressed in sf9 in... | 33548637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H2 receptor | 5 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Unchecked | 4 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H1 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H3 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H4 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | D(2) dopamine receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine