NVP-TAE684

Ligand id: 5714

Name: NVP-TAE684

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 111.31
Molecular weight 613.26
XLogP 4.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-chloro-2-N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
Synonyms
NVP-TAE 684 | TAE-684 | TAE684
Database Links
CAS Registry No. 761439-42-3
ChEMBL Ligand CHEMBL509032
PubChem CID 16038120
RCSB PDB Ligand GUI
Search Google for chemical match using the InChIKey QQWUGDVOUVUTOY-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey QQWUGDVOUVUTOY-UHFFFAOYSA-N
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Comments
NVP-TAE684 is a next-generation inhibitor designed to inhibit oncogenic ALK-rearranged fusion proteins involved in certain cancers. It was initially identified as a potent and selective inhibitor of the NPM-ALK fusion [2].