Compound Detail
CHEMBL160919
TETRAHYDROPAPAVERINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL160919 |
| Name | TETRAHYDROPAPAVERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXWQTVWJNHKSCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.15
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2095166 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Adrenergic receptor alpha CHEMBL2094111 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Ki | = | 1000.0 | nM | 6.0 | Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat... | 6248642 |
| Adrenergic receptor alpha | Ki | = | 10000.0 | nM | 5.0 | Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral... | 6248642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-008-9122-3 | Acetylcholinesterase | 3 |
| - | 10.1007/s00044-008-9122-3 | Cholinesterase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 6248642 | 10.1021/jm00180a013 | Adrenergic receptor beta | 1 |
| 6248642 | 10.1021/jm00180a013 | Adrenergic receptor alpha | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine