Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H15N |
| Molecular Weight | 173.2542 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@]1(CNC2)C3=CC=C(C)C=C3
InChI
InChIKey=OFYVIGTWSQPCLF-NEPJUHHUSA-N
InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12+/m1/s1
Bicifadine (DOV-220075) is not a narcotic and is well-tolerated and, in preclinical studies, has been shown not to act at any opiate receptor, but inhibits monoamine neurotransmitter uptake by recombinant human transporters in vitro with a relative potency of norepinephrine:serotonin:dopamine of 1:2:17. Bicifadine was in Phase II clinical trial for pain caused by diabetic neuropathy, in addition, was in phase III clinical trial to treat Chronic Low Back Pain, but that studies were discontinued
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P23975 Gene ID: 6530.0 Gene Symbol: SLC6A2 Target Organism: Homo sapiens (Human) |
5.0 µM [Ki] | ||
Target ID: P31645 Gene ID: 6532.0 Gene Symbol: SLC6A4 Target Organism: Homo sapiens (Human) |
2.4 µM [Ki] | ||
Target ID: Q01959 Gene ID: 6531.0 Gene Symbol: SLC6A3 Target Organism: Homo sapiens (Human) |
5.2 µM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Palliative | Unknown Approved UseUnknown |
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
1780 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/17991768/ |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
BICIFADINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
34271 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/17991768/ |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
BICIFADINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
1.63 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/17991768/ |
200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered: |
BICIFADINE plasma | Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN |
Funbound
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
2.2% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/17991767/ |
BICIFADINE plasma | Homo sapiens |
Sample Use Guides
Bicifadine interactions with neurotransmitter transporters, receptors, and ion channels were tested, using the radioligand-receptor binding screen. Bicifadine inhibited [125I]RTI-55 binding to sites on recombinant human 5-HT, NE, and DA transporters with moderate (micromolar) but equivalent affinities (1:2:2, respectively). Subsequent functional tests indicated that bicifadine potently inhibited the uptake of [3H]NE and [3H]5-HT by cell lines expressing recombinant human monoamine transporters (IC50 = 55 and 117 nM, respectively), whereas its potency in blocking [3H]DA uptake was approximately one order of magnitude lower (IC50 = 910 nM) (1:2:17, respectively).
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DTXSID70647229
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24768032
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P470K5WJ59
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83213-66-5
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SUBSTANCE RECORD
