tuspetinib   Click here for help

GtoPdb Ligand ID: 12010

Synonyms: example 8 [US10870639B2] | HM-43239 | HM43239
Compound class: Synthetic organic
Comment: HM43239 is an orally active, clinical stage compound that inhibits a number of kinases that are active in myeloid malignancies, including FLT3, SYK, mutant forms of cKIT, JAK1/2, and other kinases [1]. It is intended as a treament for patients with relapsed/refractory acute myeloid leukemia (AML). We matched its chemical structure to the INN 'tuspetinib' that was released in the WHO's proposed INN list 127 (21 July 2022).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 68.87
Molecular weight 500.25
XLogP 5.97
No. Lipinski's rules broken 1
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Canonical SMILES C[C@@H]1N[C@H](C)CN(C1)Cc1cc(Nc2ncc(c(n2)c2c[nH]c3c2ccc(c3)C)Cl)cc(c1)C1CC1
Isomeric SMILES C[C@@H]1CN(C[C@@H](N1)C)Cc1cc(cc(c1)Nc1ncc(c(n1)c1c[nH]c2c1ccc(c2)C)Cl)C1CC1
InChI InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
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
12330 tuspetinib
Synonyms Click here for help
example 8 [US10870639B2] | HM-43239 | HM43239
Database Links Click here for help
BindingDB Ligand 476700
DrugBank Ligand DB15343
GtoPdb PubChem SID 464244151
PubChem CID 135390910
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UniChem Compound Search for chemical match using the InChIKey FZLSDZZNPXXBBB-KDURUIRLSA-N
UniChem Connectivity Search for chemical match using the InChIKey FZLSDZZNPXXBBB-KDURUIRLSA-N