Compound Detail
CHEMBL519889
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CN1C[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@@H]3C1=O
Basic Information
| ChEMBL ID | CHEMBL519889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQSIXDAWRTXGGA-SFXHKCFJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.6
MW (Da)
3.95
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.26 | 6.26 | 543.0 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 543.0 | nM | 6.26 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
| Histamine H3 receptor | Ki | = | 543.0 | nM | 6.26 | Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... | 19588934 |
| Histamine H3 receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]NAMH from rat full length histamine H3 receptor expressed in... | 18683917 |
| Histamine H3 receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... | 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