Compound Detail
CHEMBL488891
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C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23CN1C
Basic Information
| ChEMBL ID | CHEMBL488891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DINDUEXSAMHHDB-ARDBEANASA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
6.69
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.1 | 8.1 | 7.9 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.71 | 7.71 | 19.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 7.91 | nM | 8.1 | Displacement of [3H]NAMH from rat full length histamine H3 receptor expressed in... | 18683917 |
| Histamine H3 receptor | Ki | = | 7.91 | nM | 8.1 | Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... | 19588934 |
| Histamine H3 receptor | Ki | = | 19.7 | nM | 7.71 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
| Histamine H3 receptor | Ki | = | 19.7 | nM | 7.71 | Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... | 19588934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18683917 | 10.1021/jm8003625 | Histamine H3 receptor | 2 |
| 19588934 | 10.1021/jm900480x | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine