Compound Detail
CHEMBL114129
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Basic Information
| ChEMBL ID | CHEMBL114129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDJSGXRROVCWFT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
2.62
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 9.1 | 8.32 | 0.8 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.8 | nM | 9.1 | Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarizat... | 10966752 |
| Histamine H3 receptor | Ki | = | 29.0 | nM | 7.54 | Inhibition of [125I]iodoproxyfan from rat histamine H3 receptor expressed in CHO... | 11294398 |
| Histamine H3 receptor | Ki | = | 87.0 | nM | 7.06 | Inhibition of [125I]iodoproxyfan binding to human histamine H3 receptor of CHO-K... | 11294398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294398 | 10.1016/s0960-894x(01)00090-7 | Histamine H3 receptor | 3 |
| 10966752 | 10.1021/jm000971p | Histamine H3 receptor | 1 |
| 10966752 | 10.1021/jm000971p | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine