Compound Detail
CHEMBL1201776
TAPENTADOL 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201776 |
| Name | TAPENTADOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KWTWDQCKEHXFFR-SMDDNHRTSA-N |
| Therapeutic | ✓ Yes |
2
Targets
3
Activities
3
Assay Types
3
PK Parameters
8
Publications
8
Known Names
13
Indications
Molecular Properties
221.3
MW (Da)
3.08
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2008 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Pain Back Pain Chronic Pain Diabetic Neuropathies Diabetic Neuropathies Hallux Valgus Joint Diseases Low Back Pain Neoplasms Neuralgia Osteoarthritis Osteoarthritis, Hip Osteoarthritis, Knee
ATC Classification
N02AX06
tapentadol
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Activity Summary
EC50 1 meas. best 6.17
IC50 1 meas. best 4.66
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.17 | 6.17 | 670.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.66 | 4.66 | 21890.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 290.0 | nM | Homo sapiens |
| Cmax | 100.0 | nM | Homo sapiens |
| Cmax | 1100.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 160.0 | nM | 6.8 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cel... | 24900459 |
| Mu-type opioid receptor | EC50 | = | 670.0 | nM | 6.17 | Agonist activity at human mu opioid receptor expressed in CHO cells assessed as ... | 24900459 |
| Solute carrier family 22 member 1 | IC50 | = | 21890.0 | nM | 4.66 | Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+... | 31597043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31597043 | 10.1021/acs.jmedchem.9b01301 | ADMET | 9 |
| 31597043 | 10.1021/acs.jmedchem.9b01301 | Unchecked | 6 |
| 31597043 | 10.1021/acs.jmedchem.9b01301 | Solute carrier family 22 member 1 | 4 |
| 24900459 | 10.1021/ml200268w | Mu-type opioid receptor | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 31597043 | 10.1021/acs.jmedchem.9b01301 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine