Compound Detail
CHEMBL3187985
APOMORPHINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl.Cl.O
15
Targets
29
Activities
3
Assay Types
0
PK Parameters
20
Publications
17
Known Names
2
Indications
1
Mechanisms
Molecular Properties
267.3
MW (Da)
2.85
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2001 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| D2-like dopamine receptor agonist | AGONIST | D2-like dopamine receptor | ✓ | ✓ |
Indications
Erectile Dysfunction Parkinson Disease
Activity Summary
IC50 21 meas. best 7.16
Ki 6 meas. best 8.43
EC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.96 | 7.64 | 11.1 | 2 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.44 | 7.44 | 36.4 | 1 |
| D(3) dopamine receptor CHEMBL3138 | IC50 | 7.16 | 7.16 | 69.5 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.43 | 5.7288 | 373.0 | 8 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.36 | 5.36 | 4378.7 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.35 | 5.35 | 4424.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 5.01 | 4.9025 | 9660.0 | 4 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.84 | 4.84 | 14597.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.77 | 4.77 | 16913.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.58 | 4.58 | 26200.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 564406 | 10.1021/jm00201a002 | Rattus norvegicus | 10 |
| 944786 | 10.1021/jm00227a026 | Rattus norvegicus | 7 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 7 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| 574901 | 10.1021/jm00197a009 | Mus musculus | 3 |
| 18289859 | 10.1016/j.bmc.2008.01.057 | D(3) dopamine receptor | 2 |
| 18289859 | 10.1016/j.bmc.2008.01.057 | D(2) dopamine receptor | 2 |
| 35093670 | 10.1016/j.ejmech.2022.114144 | Unchecked | 2 |
| 18289859 | 10.1016/j.bmc.2008.01.057 | Mus musculus | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 184283 | 10.1021/jm00230a001 | Canis familiaris | 2 |
| 564406 | 10.1021/jm00201a002 | Felis catus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 2136919 | 10.1021/jm00163a007 | Rattus norvegicus | 1 |
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 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 |
| 564406 | 10.1021/jm00201a002 | Canis familiaris | 1 |
| 2136919 | 10.1021/jm00163a007 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine