gandotinib

Ligand id: 7909

Name: gandotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 83.37
Molecular weight 469.18
XLogP 4.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
International Nonproprietary Names
INN number INN
9695 gandotinib
Synonyms
LY-2784544 | LY2784544
Database Links
CAS Registry No. 1229236-86-5
ChEMBL Ligand CHEMBL2107823
PubChem CID 46213929
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Comments
Gandotinib (LY2784544) is a potent ATP-competitive and selective JAK2 inhibitor [1], with potential clinical value for its ability to inhibit the constitutive activity of the JAK2V617F mutation found in myeloproliferative neoplasms (MPNs).