Compound Detail
CHEMBL268490
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Basic Information
| ChEMBL ID | CHEMBL268490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHSPJQZRQAJPPF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
125.2
MW (Da)
0.17
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.6
EC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Histamine H3 receptor CHEMBL5076 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Histamine H3 receptor CHEMBL3263 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 0.3981 | nM | 9.4 | Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... | 21044842 |
| Histamine H3 receptor | Ki | = | 2.512 | nM | 8.6 | Activity at histamine H3 receptor in guinea pig ileum | 18433114 |
| Histamine H3 receptor | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 21044842 |
| Histamine H3 receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)... | 19553110 |
| Histamine H4 receptor | Ki | = | 316.23 | nM | 6.5 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H4 receptor | EC50 | = | 794.33 | nM | 6.1 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21044842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 3 |
| 1967317 | 10.1021/jm00163a001 | Rattus norvegicus | 2 |
| 18433114 | 10.1021/jm7014149 | Histamine H3 receptor | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 1967317 | 10.1021/jm00163a001 | Histamine H1 receptor | 1 |
| 1967317 | 10.1021/jm00163a001 | Histamine H2 receptor | 1 |
| 10197963 | 10.1021/jm980408v | Histamine H3 receptor | 1 |
| 19553110 | 10.1016/j.bmcl.2009.06.025 | Histamine H3 receptor | 1 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine