Molecule Details
| InChIKey | PJMPHNIQZUBGLI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Fentanyl |
| Canonical SMILES | CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.89 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00813 |
|---|---|
| Drug Name | Fentanyl |
| CAS Number | 437-38-7 |
| Groups | approved illicit investigational vet_approved |
| ATC Codes | N01AH01 N02AB03 N01AH51 |
| Description | Fentanyl, a potent opioid agonist, was developed in the 1950s to fill a need for strong and rapid analgesia.[A179542] Because of these characteristics, fentanyl is commonly used to treat chronic cancer pain or in anesthesia.[Label,L6598,L6601,L6604,L6607,L922,L6610,L6613] Fentanyl is related to othe... |
Categories: Adjuvants Adjuvants, Anesthesia Agents that produce hypertension Agents that reduce seizure threshold Analgesics Anesthetics Anesthetics, General Anesthetics, Intravenous Antidepressive Agents Bradycardia-Causing Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Fentanyl and fentanyl analogues High-risk opioids Narcotics Nervous System Neuraxial Anesthetics Opiate Agonists Opioid Agonist Opioid Anesthetics Opioids Opioids, Anilidopiperidine P-glycoprotein inhibitors Peripheral Nervous System Agents Phenylpiperidine opioids Piperidines Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 50008984 ChEBI: 119915 CHEMBL596 ChemSpider: 3228 Drugs Product Database (DPD): 10075 Guide to Pharmacology: 1626 IUPHAR: 1626 D00320 PDB: 7V7 PharmGKB: PA449599 PubChem:3345 PubChem:46506372 RxCUI: 4337 Therapeutic Targets Database: DAP000072 Wikipedia: Fentanyl ZINC: ZINC000002522669
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14982 | OPCML | Homo sapiens | Human | PF07679 PF13927 | 9.7 | Kd | BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 9.4 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P41143 | OPRD1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P35372 | OPRM1 | Mu-type opioid receptor | agonist | targets |
| P41143 | OPRD1 | Delta-type opioid receptor | agonist | targets |
| P41145 | OPRK1 | Kappa-type opioid receptor | agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |