utatrectinib   Click here for help

GtoPdb Ligand ID: 10360

Synonyms: AZ12607092 | AZD-7451 | AZD7451 | Example 6 [US8486966B2]
Compound class: Synthetic organic
Comment: AZD7451 is a pan tropomyosin receptor kinase (TRK; also know as neurotrophic receptor tyrosine kinases or NTRKs) inhibitor [1]. It reached Phase 1 clinical development for anticancer potential, but the programme was discontinued. It was designed for the treatment of tumours that express oncogenic NTRK fusions [2-3]. The chemical structure of AZD7451 is identical to that which was submitted to the WHO for the INN utatrectinib (proposed INN list 126, Jan 2022).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 105.91
Molecular weight 382.17
XLogP 3.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C
Isomeric SMILES C[C@@H](c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C
InChI InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1
InChI Key AYOOGWWGECJQPI-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11994 utatrectinib
Synonyms Click here for help
AZ12607092 | AZD-7451 | AZD7451 | Example 6 [US8486966B2]
Database Links Click here for help
BindingDB Ligand 98013
ChEMBL Ligand CHEMBL3659497
GtoPdb PubChem SID 384403640
PubChem CID 25115967
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