Compound Detail
CHEMBL15075
VERONGAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL15075 |
| Name | VERONGAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFMMJKGZEGTTSV-DEDYPNTBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.2
MW (Da)
1.91
ALogP
5
HBA
3
HBD
99.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Histamine H3 receptor CHEMBL5076 | IC50 | 6.3 | 6.19 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.5 | nM | 9.3 | Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor | 9871722 |
| Histamine H3 receptor | IC50 | = | 500.0 | nM | 6.3 | Binding affinity to histamine H3 receptor in guinea pig brain membrane | 8158162 |
| Histamine H3 receptor | IC50 | = | 830.0 | nM | 6.08 | Antagonist activity at histamine H3 receptor in guinea pig ileum assessed as inh... | 18683917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8158162 | 10.1021/np50103a029 | Histamine H3 receptor | 3 |
| 9871722 | 10.1016/s0960-894x(98)00181-4 | Histamine H3 receptor | 1 |
| 18683917 | 10.1021/jm8003625 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine