Compound Detail
CHEMBL1632409
CLOBENPROBIT Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1632409 |
| Name | CLOBENPROBIT |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLYSQHFCSVNUMZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.9
MW (Da)
3.84
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 0.3981 | nM | 9.4 | Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... | 21044842 |
| Histamine H3 receptor | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 21044842 |
| Histamine H4 receptor | Ki | = | 7.943 | nM | 8.1 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H4 receptor | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21044842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine