rogaratinib

Ligand id: 9789

Name: rogaratinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 135.25
Molecular weight 466.18
XLogP 1.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one
International Nonproprietary Names
INN number INN
10372 rogaratinib
Synonyms
BAY-1163877 | BAY1163877 | Example 1 [WO2013087578]
Comments
Rogaratinib (BAY-1163877) is a FGFR-selective kinase inhibitor that is being investigated for antineoplastic activity. The parent molecular structure is claimed as Example 1 in patent WO2013087578, and the dihydrochloride is claimed as Example 2 [1].
Database Links
BindingDB Ligand 194820
CAS Registry No. 1443530-05-9 (source: WHO INN record)
GtoPdb PubChem SID 354702262
PubChem CID 71611869
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