zidesamtinib   Click here for help

GtoPdb Ligand ID: 12392

Synonyms: Example 5 [US383715659] | NVL-520 | NVL520
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN zidesamtinib (a tyrosine kinase inhibitor that is intended as an antineoplastic agent). Zidesamtinib's structure matches that for the brain penetrant ROS1 inhibitor NVL-520, that was designed to overcome ROS1G2032R-mediated resistance to lorlatinib, entrectinib and crizotinib [1]. Objective tumour responses have been observed in 3 patients with ROS1 fusion-positive lung cancers (including with brain metastases) that were resistant to other tyrosine kinase inhibitor therapies [1]. Turning Point Therapeutics' repotrectinib has also shown promise against ROS1G2032R, but NVL-520 is proposed as a more suitable rival in terms of CNS adverse events.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 91.17
Molecular weight 419.46
XLogP 2.19
No. Lipinski's rules broken 0
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Canonical SMILES CCN1C2=C(CC3=NN(C)N=C3C4=CC=C(C=C4[C@@H](C)OC5=CC2=CN=C5N)F)C=N1
Isomeric SMILES CCN1N=CC2=C1C3=CC(O[C@H](C)C4=CC(F)=CC=C4C5=NN(C)N=C5C2)=C(N)N=C3
InChI InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
12588 zidesamtinib
Synonyms Click here for help
Example 5 [US383715659] | NVL-520 | NVL520
Database Links Click here for help
GtoPdb PubChem SID 479821183
PubChem CID 166560233
Search Google for chemical match using the InChIKey DTWUUAFTYSMNQX-GFCCVEGCSA-N
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UniChem Compound Search for chemical match using the InChIKey DTWUUAFTYSMNQX-GFCCVEGCSA-N
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