gusacitinib   Click here for help

GtoPdb Ligand ID: 10000

Synonyms: ASN-002 | ASN002 | example 189 [WO2013028818A1]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Gusacitinib (ASN002) is an orally bioavailable dual spleen tyrosine kinase (SYK)/pan Janus kinase (JAK) inhibitor that is being developed by Asana BioSciences. It is being evaluated for clinical efficacy in inflammatory and oncology settings. Not to be confused with Ascend Biopharmaceuticals immuno-oncology lead ASN-002, which is an engineered virus that expresses IFN-γ.
Gusacitinib is one of the chemical structures (example 189) claimed in Asana Biosciences' patent WO2013028818A1 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 134.06
Molecular weight 460.23
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O
Isomeric SMILES N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O
InChI InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)
InChI Key NLFLXLJXEIUQDL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10976 gusacitinib
Synonyms Click here for help
ASN-002 | ASN002 | example 189 [WO2013028818A1]
Database Links Click here for help
GtoPdb PubChem SID 374883887
PubChem CID 71269142
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