mobinitinib   Click here for help

GtoPdb Ligand ID: 13496

Synonyms: CCT-241736 | CCT241736
Compound class: Synthetic organic
Comment: The chemical structure for mobinitinib was obtained from WHO proposed INN list 131 (August 2024). This is a structural match to the dual fms-like tyrosine kinase 3 (FLT3)/Aurora kinase inhibitor CCT241736 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 58.83
Molecular weight 456.37
XLogP 2.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=NN(C)C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl
Isomeric SMILES CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C
InChI InChI=1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27)
InChI Key AKJBLKUZXRMECW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
International Nonproprietary Names Click here for help
INN number INN
13061 mobinitinib
Synonyms Click here for help
CCT-241736 | CCT241736
Database Links Click here for help
BindingDB Ligand 247371
CAS Registry No. 1402709-93-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL2207503
DrugBank Ligand DB18120
GtoPdb PubChem SID 500839906
PubChem CID 71454279
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UniChem Compound Search for chemical match using the InChIKey AKJBLKUZXRMECW-UHFFFAOYSA-N
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