Compound Detail
CHEMBL551978
DROTAVERINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL551978 |
| Name | DROTAVERINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | OMFNSKIUKYOYRG-MOSHPQCFSA-N |
4
Targets
5
Activities
1
Assay Types
9
PK Parameters
20
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
397.5
MW (Da)
4.93
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Phosphodiesterase 4 inhibitor | INHIBITOR | Phosphodiesterase 4 | ✓ | ✓ |
Indications
Bile Duct Diseases Digestive System Diseases
ATC Classification
A03AD02
drotaverine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Activity Summary
IC50 5 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uterus CHEMBL4296544 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.22 | 5.22 | 6070.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.43 | 4.43 | 37000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3250.92 | ng.hr.mL-1 | Homo sapiens |
| CL | 3.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.5 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.12 | - | Homo sapiens |
| Fu | 0.12 | - | Homo sapiens |
| MRT | 9.0 | hr | Homo sapiens |
| T1/2 | 9.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uterus | IC50 | = | 1940.0 | nM | 5.71 | Inhibition of oxytocin-induced uterus contraction in non-pregnant Sprague-Dawley... | 29269216 |
| SARS-CoV-2 | IC50 | = | 6070.0 | nM | 5.22 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| ATP-binding cassette sub-family C member 4 | IC50 | = | 24500.0 | nM | 4.61 | Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
| Bile salt export pump | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane ves... | 20829430 |
| Bile salt export pump | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
Data from ChEMBL 36 via Core Engine