HPG1860   Click here for help

GtoPdb Ligand ID: 12910

Synonyms: compound 23 [PMID: 37424079] | HPG-1860
Compound class: Synthetic organic
Comment: HPG1860 is an orally bioavailable nonbile acid farnesoid X receptor (FXR) agonist [1]. It is active in biochemical and cellular FXR assays, it and induces a predicted pharmacodynamic response in vivo. FXR agonism is proposed for the treatment of disease such as nonalcoholic steatohepatitis (NASH) and nonalcoholic fatty liver disease (NAFLD) where inflammatory and fibrotic processes drive pathological liver damage.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 112.26
Molecular weight 573.49
XLogP 3.76
No. Lipinski's rules broken 1
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Canonical SMILES C[C@@H]1CN(CCN1C2=NC3=C(C=C(C=C3OC)C(=O)O)S2)CC4=C(C5CC5)ON=C4C6=C(C=CC=C6Cl)Cl
Isomeric SMILES ClC1=CC=CC(Cl)=C1C2=NOC(C3CC3)=C2CN4C[C@@H](C)N(CC4)C5=NC6=C(OC)C=C(C(O)=O)C=C6S5
InChI InChI=1S/C27H26Cl2N4O4S/c1-14-12-32(8-9-33(14)27-30-24-20(36-2)10-16(26(34)35)11-21(24)38-27)13-17-23(31-37-25(17)15-6-7-15)22-18(28)4-3-5-19(22)29/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,34,35)/t14-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(2R)-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl}-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
Synonyms Click here for help
compound 23 [PMID: 37424079] | HPG-1860
Database Links Click here for help
GtoPdb PubChem SID 485206031
Search Google for chemical match using the InChIKey JPEHHEUXHNQIIX-CQSZACIVSA-N
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UniChem Compound Search for chemical match using the InChIKey JPEHHEUXHNQIIX-CQSZACIVSA-N
UniChem Connectivity Search for chemical match using the InChIKey JPEHHEUXHNQIIX-CQSZACIVSA-N