Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H20Cl2N4O2S |
Molecular Weight | 487.402 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN\C(=N/S(=O)(=O)C1=CC=C(Cl)C=C1)N2C[C@@H](C(=N2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4
InChI
InChIKey=AXJQVVLKUYCICH-OAQYLSRUSA-N
InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
Ibipinabant (IBI) is an orally active potent cannabinoid-1 receptor (CB1R) antagonist. This drug was studied for the treatment of obesity and psychotic disorders. However, the development of the drug was discontinued in November 2008. Now, ibipinabant is only used for laboratory research, especially structure-activity relationship studies into novel CB1 antagonists.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P21554|||Q5UB37 Gene ID: 1268.0 Gene Symbol: CNR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/14736243 |
25.2 nM [Ki] | ||
Target ID: P21554|||Q5UB37 Gene ID: 1268.0 Gene Symbol: CNR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/14736243 |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT00388609
5 mg (ST) to 50 mg (LT) Tablet, Oral, Once Daily, 12 weeks treatment followed by 20 week washout (ST); up to 190 weeks treatment (LT)
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22959249
(±)-Ibipinabant ((±)-SLV319) is a potent and selective cannabinoid-1 (CB-1) receptor antagonist with an IC50 of 22 nM.
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DB12649
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ACTIVE MOIETY