neladalkib   Click here for help

GtoPdb Ligand ID: 13214

Synonyms: compound 1 [WO2023196910]
PDB Ligand
Compound class: Synthetic organic
Comment: The chemical structure for neladalkib was obtained from proposed INN list 130 (Feb. 2024), in which the compound is described as an anaplastic lymphoma kinase (ALK) inhibitor with potential antineoplastic action. It is claimed in Nuvalent's patent WO2023196910 [1]. Nuvalent's pipeline declares one ALK inhibitor, NVL-655, so we suspect that this may be neladalkib.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 78.81
Molecular weight 452.91
XLogP 2.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1C2=C(CC3=CN(C)N=C3C4=CC=C(C=C4[C@@H](C)OC5=CC2=CN=C5N)F)C(=N1)Cl
Isomeric SMILES CCN1C2=C(CC3=CN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C(=N1)Cl
InChI InChI=1S/C23H22ClFN6O/c1-4-31-21-13-8-19(23(26)27-10-13)32-12(2)17-9-15(25)5-6-16(17)20-14(11-30(3)28-20)7-18(21)22(24)29-31/h5-6,8-12H,4,7H2,1-3H3,(H2,26,27)/t12-/m1/s1
InChI Key FWZSCAQEBTVTOM-GFCCVEGCSA-N
No information available.
Summary of Clinical Use Click here for help
NVL-655 is a clinical lead for the treatment of solid tumours with activating ALK mutations or gene rearrangements.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT05384626 A Study of NVL-655 in Patients With Advanced NSCLC and Other Solid Tumors Harboring ALK Rearrangement or Activating ALK Mutation (ALKOVE-1) Phase 1/Phase 2 Interventional Nuvalent Inc.