Compound Detail
CHEMBL118572
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Basic Information
| ChEMBL ID | CHEMBL118572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXNBYFYLVCCHIP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.99
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.97
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 5.97 | 5.97 | 1071.5 | 2 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 1071.52 | nM | 5.97 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
| Histamine H4 receptor | Ki | = | 1071.52 | nM | 5.97 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 20192225 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against phosphodiesterase 5 from human platelets | 7658441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658441 | 10.1021/jm00018a014 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
| 20192225 | 10.1021/jm901379s | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine