Compound Detail
CHEMBL2441941
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Basic Information
| ChEMBL ID | CHEMBL2441941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCTAGKPSBHYINP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040779 |
| Active Moiety | CHEMBL3040779 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.0
MW (Da)
4.41
ALogP
3
HBA
2
HBD
39.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Histamine H3 receptor CHEMBL264 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 1.995 | nM | 8.7 | Antagonist activity at human histamine H3 receptor expressed in CHO cells assess... | 24140447 |
| Histamine H3 receptor | IC50 | = | 6.31 | nM | 8.2 | Antagonist activity at human histamine H3 receptor expressed in CHO cells assess... | 24140447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24140447 | 10.1016/j.bmcl.2013.09.052 | Histamine H4 receptor | 2 |
| 24140447 | 10.1016/j.bmcl.2013.09.052 | Histamine H3 receptor | 2 |
| 24140447 | 10.1016/j.bmcl.2013.09.052 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine