compound 7r [PMID: 26080733]

Ligand id: 8639

Name: compound 7r [PMID: 26080733]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 73.49
Molecular weight 473.22
XLogP 5.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
Comments
Compound 7r was designed using scaffold hopping and molecular hybridization strategies to identify novel FGFR inhibitors, based on the structures of existing FGFR inhibitors AZD4547 and infigratinib [1]. The X-ray structure of FGFR1 in complex with compound 7n (identical to 7r but without the 2-fluoro side group) has been reported and has RCSB Protein Data Bank ID 4ZSA [1].
Database Links
GtoPdb PubChem SID 252166839
PubChem CID 91827382
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Search UniChem for chemical match using the InChIKey ANMVTYAYYHHSTF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANMVTYAYYHHSTF