vidupiprant   

GtoPdb Ligand ID: 10169

Synonyms: AMG 853 | AMG-853 | AMG853 | compound 2 [PMID: 24900313]
Compound class: Synthetic organic
Comment: Vidupiprant (AMG853) is a dual prostanoid DP1 and DP2 receptor antagonist that was developed for anti-asthmatic potential [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 130.18
Molecular weight 608.1
XLogP 6.8
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C
Isomeric SMILES OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C
InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
InChI Key PFWVGKROPKKEDW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[4-(tert-butylcarbamoyl)-2-[(2-chloro-4-cyclopropylphenyl)sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid
International Nonproprietary Names
INN number INN
9387 vidupiprant
Synonyms
AMG 853 | AMG-853 | AMG853 | compound 2 [PMID: 24900313]
Database Links
BindingDB Ligand 50363928
CAS Registry No. 1169483-24-2 (source: PubChem)
ChEMBL Ligand CHEMBL1951575
GtoPdb PubChem SID 381118879
PubChem CID 42641863
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Tocris
AMG 853
Cat. No. 5701