| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H18N2O3.C4H4O4 |
| Molecular Weight | 426.4193 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.O=C1CC2=C(N1)C=CC3=C2O[C@@H](CNCC4=CC=CC=C4)CO3
InChI
InChIKey=GELJVTSEGKGLDF-QDSMGTAFSA-N
InChI=1S/C18H18N2O3.C4H4O4/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-7,13,19H,8-11H2,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.3471 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Aplindore (DAB-452) is a small molecule that displays potent dopamine D2 receptor partial agonist activity in in vitro and in vivo assays and is predicted to have antipsychotic efficacy without motor side effects. Aplindore had been in phase II clinical trials for the treatment of Parkinson's disease and restless legs syndrome. Aplindore was generally well tolerated and there were no withdrawals due to adverse events and no serious adverse events.
CNS Activity
Originator
Approval Year
Sourcing
PubMed
Sample Use Guides
CHO-D2S-Gαq/o cells were challenged with various doses (up to 10 uM) of aplindore, aripiprazole and quinpirole in the absence and presence of quinpirole (10 nM). Aplindore (at 10 uM, Emax= 56 ± 1%, in the absence and 58 ± 2% in the presence of quinpirole) showed less antagonist activity than aripiprazole (at 10 uM, Emax= 33 ± 6% and 50 ± 2%, respectively) on quinpirole-mediated
[Ca2+]i response.
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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