Tandutinib
4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
Molecular Identity
Tandutinib
4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID: 3038522
Tandutinib is an N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of phenylureas, a member of piperidines, an aromatic ether, a member of quinazolines, a N-arylpiperazine, a N-carbamoylpiperazine and a tertiary amino compound.
2D Structure
Properties
C31H42N6O4
Molecular Formula
562.70
Molecular Weight
g/mol
562.3268
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
92.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
783
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5Isomeric SMILES
SMILES: CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5Synonyms(20)
Tandutinib387867-13-2MLN-518MLN518CT53518MLN 518CT 53518CT-53518tandutinibumDTXSID8048947E1IO3ICJ9ANSC-759851DTXCID5028873(4-(6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamideCHEBI:90237
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tandutinib
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