| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.412 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(CC(O)=O)C2=CC=CN=C2N1CC3=CC=C(C=C3)S(C)(=O)=O
InChI
InChIKey=YOPFAMROKXHVCQ-UHFFFAOYSA-N
InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.412 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
QAV-680 is a pyrrolopyridine derivative patented by Novartis Pharma GmbH as chemoattractant receptor (CRTh2) antagonist for the treatment of an inflammatory or allergic condition, particularly an inflammatory or obstructive airways disease. QAV-680 shows low nM potency and excellent selectivity across a range of CRTh2 dependent primary human inflammatory cell assays. In preclinical studies, QAV-680 shows good pharmacokinetic properties (including a suitable escalating dose–exposure relationship) in the rat and mouse and demonstrates efficacy in both mechanistic and allergic disease CRTh2-dependent rodent in vivo models. In 2008-2010 QAV-680 was tested in Phase 2 clinical trials but no further development reports were published.
