Compound Detail
CHEMBL119443
ERGONOVINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL119443 |
| Name | ERGONOVINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | WVVSZNPYNCNODU-XTQGRXLLSA-N |
| Therapeutic | ✓ Yes |
12
Targets
26
Activities
2
Assay Types
0
PK Parameters
6
Publications
5
Known Names
Molecular Properties
325.4
MW (Da)
1.53
ALogP
3
HBA
3
HBD
68.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
ATC Classification
G02AB03
ergometrine
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS
Activity Summary
Ki 14 meas. best 9.2
IC50 12 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 8.38 | 8.38 | 4.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.33 | 8.33 | 4.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.88 | 6.88 | 132.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.74 | 6.74 | 184.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.71 | 6.71 | 193.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.54 | 6.54 | 289.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.26 | 6.26 | 552.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.25 | 6.25 | 567.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.91 | 5.91 | 1228.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1843.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.53 | 5.53 | 2950.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.23 | 5.23 | 5901.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.5281/zenodo.13943903 | ADMET | 89 |
| 7658443 | 10.1021/jm00018a016 | 5-hydroxytryptamine receptor 1D | 2 |
| 12235267 | 10.1124/jpet.102.037549 | ATP-dependent translocase ABCB1 | 2 |
| 11961113 | 10.1124/mol.61.5.964 | ATP-dependent translocase ABCB1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine