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
SMILES / InChI / InChIKey
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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)
InChI Key SGVQMZVRLBDVCF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide
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
CAS Registry No. 387867-13-2
GtoPdb PubChem SID 178102322
PubChem CID 66524380
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