Compound Detail
CHEMBL1935573
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Basic Information
| ChEMBL ID | CHEMBL1935573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICIGFIHEQAKGAX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.22
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
IC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.3 | 8.3 | 5.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.19 | 5.19 | 6422.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | Ki | = | 5.0 | nM | 8.3 | Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as ... | 22153663 |
| Histamine H4 receptor | IC50 | = | 83.0 | nM | 7.08 | Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as ... | 22153663 |
| Histamine H3 receptor | Ki | = | 98.0 | nM | 7.01 | Displacement of [3H]histamine from human H3 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H1 receptor | Ki | = | 6422.0 | nM | 5.19 | Displacement of [3H]histamine from human H1 receptor expressed in HEK cell membr... | 22153663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 3 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H3 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H1 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine