Compound Detail
CHEMBL1213135
ERGONOVINE MALEATE 🧪 Phase III
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🧪 Phase III
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1213135 |
| Name | ERGONOVINE MALEATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | YREISLCRUMOYAY-IIPCNOPRSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL119443 |
| Active Moiety | CHEMBL119443 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
9
Known Names
1
Indications
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 |
Indications
Postpartum Hemorrhage
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.15 | 4.15 | 71100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 71100.0 | nM | 4.15 | Binding affinity to EZH2-EED (unknown origin) protein interaction assessed as in... | 35093670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7190615 | 10.1021/jm00181a021 | Rattus norvegicus | 4 |
| 18327252 | 10.1038/nchembio.78 | Drosophila | 2 |
| 35093670 | 10.1016/j.ejmech.2022.114144 | Unchecked | 2 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine