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
Database Links
PubChem CID 91827382
Search Google for chemical match using the InChIKey ANMVTYAYYHHSTF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANMVTYAYYHHSTF
Search UniChem for chemical match using the InChIKey ANMVTYAYYHHSTF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANMVTYAYYHHSTF
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 BGJ-398 [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].