Compound Detail
CHEMBL510387
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CC[C@@H](C)[C@@H](N)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL510387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDLNRLXMPCNPAF-STHLYLOOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.7
MW (Da)
5.08
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.43 | 9.43 | 0.4 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.54 | 8.54 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.3715 | nM | 9.43 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
| Histamine H3 receptor | Ki | = | 0.37 | nM | 9.43 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
| Histamine H3 receptor | Ki | = | 2.884 | nM | 8.54 | Displacement of [3H]NAMH from histamine H3 receptor in rat cortex | 18683917 |
| Histamine H3 receptor | Ki | = | 2.88 | nM | 8.54 | Displacement of [3H]NAMH from histamine H3 receptor in rat cortex | 18683917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18683917 | 10.1021/jm8003625 | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine