tandutinib   Click here for help

GtoPdb Ligand ID: 5695

Synonyms: CT53518 | MLN-518 | MLN518
Compound class: Synthetic organic
Comment: Tandutinib is reported as a fms-related tyrosine kinase 3 (FLT3) inhibitor, although it has almost identical IC50s for PDGRFβ and KIT [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 79.4
Molecular weight 561.33
XLogP 4.53
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C
Isomeric SMILES COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C
InChI InChI=1S/C32H43N5O4/c1-24(2)41-26-10-8-25(9-11-26)34-32(38)37-19-17-36(18-20-37)29-12-13-33-28-23-31(30(39-3)22-27(28)29)40-21-7-16-35-14-5-4-6-15-35/h8-13,22-24H,4-7,14-21H2,1-3H3,(H,34,38)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8501 tandutinib
Synonyms Click here for help
CT53518 | MLN-518 | MLN518
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9695994
Reactome Reaction Reactome logo R-HSA-9702510, R-HSA-9695831, R-HSA-9702638
Other databases
CAS Registry No. 387867-13-2
GtoPdb PubChem SID 178102322
PubChem CID 66524380
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UniChem Compound Search for chemical match using the InChIKey SGVQMZVRLBDVCF-UHFFFAOYSA-N
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