Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C24H27FN2O.C6H8O7 |
| Molecular Weight | 949.0883 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCC3=C2NC4=CC=C(F)C=C34)C5=CC=CC=C5.CN(C)[C@]6(CC[C@@]7(CC6)OCCC8=C7NC9=CC=C(F)C=C89)C%10=CC=CC=C%10
InChI
InChIKey=QNIWUQOXLTXKTG-YHFKLDKUSA-N
InChI=1S/2C24H27FN2O.C6H8O7/c2*1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*3-9,16,26H,10-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*23-,24-;
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C24H27FN2O |
| Molecular Weight | 378.4824 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: Description was created using several sources including: https://www.ncbi.nlm.nih.gov/pubmed/25147603
Curator's Comment: Description was created using several sources including: https://www.ncbi.nlm.nih.gov/pubmed/25147603
Cebranopadol is a novel analgesic nociceptin/orphanin FQ peptide (NOP) and opioid receptor agonist. Cebranopadol, by its combination of agonism at NOP and opioid receptors, affords highly potent and efficacious analgesia in various pain models with a favorable side effect profile. Cebranopadol displays analgesic, antiallodynic and antihyperalgesic properties in several rat models of acute nociceptive, inflammatory, cancer and neuropathic pain. Unlike morphine, cebranopadol did not disrupt motor coordination and respiration at doses within and exceeding the analgesic dose range possessing a broader therapeutic window than classical opioids. It is currently in clinical development for the treatment of severe chronic nociceptive and neuropathic pain.
CNS Activity
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P41146 Gene ID: 4987.0 Gene Symbol: OPRL1 Target Organism: Homo sapiens (Human) |
13.0 nM [EC50] | ||
Target ID: P35372|||G8XRH8|||Q5TDA1|||Q9UN57 Gene ID: 4988.0 Gene Symbol: OPRM1 Target Organism: Homo sapiens (Human) |
1.2 nM [EC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Secondary | Unknown Approved UseUnknown |
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
891 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
1200 μg 1 times / day steady-state, oral dose: 1200 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
1119 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
1600 μg 1 times / day steady-state, oral dose: 1600 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
255 pg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
400 μg 1 times / day steady-state, oral dose: 400 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
14474 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
1200 μg 1 times / day steady-state, oral dose: 1200 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
18785 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
1600 μg 1 times / day steady-state, oral dose: 1600 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
4260 pg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28623508 |
400 μg 1 times / day steady-state, oral dose: 400 μg route of administration: Oral experiment type: STEADY-STATE co-administered: |
CEBRANOPADOL plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
| Substance Class |
Chemical
Created
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admin
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Edited
Fri Dec 15 19:42:11 GMT 2023
by
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on
Fri Dec 15 19:42:11 GMT 2023
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| Record UNII |
S5PYO26J10
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| Record Status |
Validated (UNII)
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| Record Version |
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