Compound Detail
CHEMBL599913
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Basic Information
| ChEMBL ID | CHEMBL599913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLTIDZRETNUAHX-KAMYIIQDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.26
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 7.48 | 7.11 | 33.0 | 2 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.24 | 5.24 | 5730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 33.0 | nM | 7.48 | Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as ... | 19945877 |
| Histamine H1 receptor | IC50 | = | 181.0 | nM | 6.74 | Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as ... | 19945877 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 5730.0 | nM | 5.24 | Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells... | 19945877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945877 | 10.1016/j.bmcl.2009.11.037 | Histamine H1 receptor | 2 |
| 19945877 | 10.1016/j.bmcl.2009.11.037 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine