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
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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)
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
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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UniChem Compound Search for chemical match using the InChIKey YUAALFPUEOYPNX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YUAALFPUEOYPNX-UHFFFAOYSA-N