Compound Detail
CHEMBL493439
EMETINE HYDROCHLORIDE 🧪 Phase II
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🧪 Phase II
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL493439 |
| Name | EMETINE HYDROCHLORIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JROGBPMEKVAPEH-GXGBFOEMSA-N |
| Parent Compound | CHEMBL50588 |
| Active Moiety | CHEMBL50588 |
8
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications
Molecular Properties
480.6
MW (Da)
4.94
ALogP
6
HBA
1
HBD
52.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Severe Acute Respiratory Syndrome
Activity Summary
IC50 14 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 7.62 | 7.5667 | 23.7 | 3 |
| PC-3 CHEMBL390 | IC50 | 7.57 | 7.5167 | 26.8 | 3 |
| LNCaP CHEMBL612518 | IC50 | 7.56 | 7.4933 | 27.8 | 3 |
| Plasmodium berghei CHEMBL612653 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| CHO CHEMBL613853 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.65 | 5.65 | 2230.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22867001 | 10.1021/jm300426q | LNCaP | 7 |
| 22867001 | 10.1021/jm300426q | PC-3 | 7 |
| 22867001 | 10.1021/jm300426q | DU-145 | 7 |
| 22867001 | 10.1021/jm300426q | Mus musculus | 5 |
| 15139771 | 10.1021/jm031132g | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 22586124 | 10.1073/pnas.1118370109 | HepG2 | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium berghei | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium falciparum | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 20421407 | 10.1128/aac.00138-10 | ADMET | 1 |
| 20421407 | 10.1128/aac.00138-10 | Ebolavirus | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine