pegcantratinib   Click here for help

GtoPdb Ligand ID: 11609

Synonyms: CT-327 | CT327 | K-252a-PEG2K | Pegylated K-252 | SNA-120 | SNA120
Compound class: Synthetic organic
Comment: Pegcantratinib (CT-327/SNA-120) is a clinical stage agent that inhibits the intracellular kinase domain of tropomyosin-related receptor kinase A (TrkA; NTRK1). TrkA is the high affinity receptor for nerve growth factor (NGF), and is a key target in pruritus, within the NGF-TrkA-TRPV1 pathway. As a TrkA inhibitor pegcantratinib is being evaluated as a potential topical treatment for inflammatory skin conditions. Chemically it is a 2kDa PEG derivative of K-252a that was originally developed by Sienna Biopharmaceuticals. PEG conjugation facilitates the delivery of high levels of the active ingredient to skin cells, and avoids the systemic side effects associated with an orally delivered version of the drug.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 113.26
Molecular weight 580.2
XLogP 5.11
No. Lipinski's rules broken 1
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Canonical SMILES COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O
Isomeric SMILES COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O
InChI InChI=1S/C32H28N4O7/c1-31-32(29(38)34(30(39)43-32)11-12-41-14-13-40-2)15-22(42-31)35-20-9-5-3-7-17(20)24-25-19(16-33-28(25)37)23-18-8-4-6-10-21(18)36(31)27(23)26(24)35/h3-10,22H,11-16H2,1-2H3,(H,33,37)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10009 pegcantratinib
Synonyms Click here for help
CT-327 | CT327 | K-252a-PEG2K | Pegylated K-252 | SNA-120 | SNA120
Database Links Click here for help
CAS Registry No. 1233363-33-1 (source: WHO INN record)
GtoPdb PubChem SID 442878643
PubChem CID 132494168
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