dubermatinib   Click here for help

GtoPdb Ligand ID: 8863

Synonyms: compound 13 [2] | TP 0903 | TP-0903 | TP0903
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Dubermatinib (TP-0903) is an inhibitor of the TAM family receptor tyrosine kinase AXL and it is being investigated for its antineoplastic activity [2,4], in particular against pancreatic cancer and lymphocytic leukemias (in combination with ibrutinib or other antineoplastic drugs).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 102.08
Molecular weight 515.19
XLogP 3.57
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl
Isomeric SMILES CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl
InChI InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
InChI Key YUAALFPUEOYPNX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide
International Nonproprietary Names Click here for help
INN number INN
10925 dubermatinib
Synonyms Click here for help
compound 13 [2] | TP 0903 | TP-0903 | TP0903
Database Links Click here for help
CAS Registry No. 1341200-45-0
ChEMBL Ligand CHEMBL2022968
GtoPdb PubChem SID 252827520
PubChem CID 56839178
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