Drug Information

Drug General Information
Drug ID
D06HPV
Former ID
DNC007126
Drug Name
DIASTEREOMER 2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528672]
Structure
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2D MOL

3D MOL
Formula
C21H19ClFNO4S
Canonical SMILES
CS(=O)(=O)C1=C2C(=CC(=C1)F)C3=C(N2CC4=CC=C(C=C4)Cl)C(CC<br />3)CC(=O)O
InChI
1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)
InChIKey
NXFFJDQHYLNEJK-UHFFFAOYSA-N
PubChem Compound ID
10216733
Target and Pathway
Target(s) Prostaglandin D2 receptor Target Info Inhibitor [528672]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Thromboxane A2 receptor signaling
PathWhiz Pathway Intracellular Signalling Through PGD2 receptor and Prostaglandin D2
Reactome Prostanoid ligand receptors
G alpha (s) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 528672J Med Chem. 2007 Feb 22;50(4):794-806.Discovery of a potent and selective prostaglandin D2 receptor antagonist, [(3R)-4-(4-chloro-benzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-acetic acid (MK-0524).
Ref 528672J Med Chem. 2007 Feb 22;50(4):794-806.Discovery of a potent and selective prostaglandin D2 receptor antagonist, [(3R)-4-(4-chloro-benzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-acetic acid (MK-0524).

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