AST-487   Click here for help

GtoPdb Ligand ID: 5661

Synonyms: AST 487 | NVP-AST 487 | NVP-AST487 [1]
Compound class: Synthetic organic
Comment: AST-487 selectively inhibits mutant FLT3 (Fms-like tyrosine kinase-3) [3] and RET ( ret proto-oncogene) [1] receptor tyrosine kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 94.65
Molecular weight 529.24
XLogP 3.51
No. Lipinski's rules broken 0
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Canonical SMILES CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC
Isomeric SMILES CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC
InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AST 487 | NVP-AST 487 | NVP-AST487 [1]
Database Links Click here for help
CAS Registry No. 630124-46-8
ChEMBL Ligand CHEMBL574738
GtoPdb PubChem SID 178102289
PubChem CID 11409972
Search Google for chemical match using the InChIKey ODPGGGTTYSGTGO-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ODPGGGTTYSGTGO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ODPGGGTTYSGTGO-UHFFFAOYSA-N