compound 25 [PMID: 31260299]

Ligand id: 10428

Name: compound 25 [PMID: 31260299]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 119.91
Molecular weight 351.11
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-Amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide
Comments
Compound 25 is a potent, selective and reversible inhibitor of Bruton's tyrosine kinase (BTK) [2]. It is built on a 4-aminoquinoline scaffold, and has improved drug-like properties (aqueous solubility, potency and stability) compared to previously reported cinnoline scaffold compounds [1].
Database Links
GtoPdb PubChem SID 385612188
Search Google for chemical match using the InChIKey RFCJOYPMBVRHBV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RFCJOYPMBVRHBV
Search UniChem for chemical match using the InChIKey RFCJOYPMBVRHBV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RFCJOYPMBVRHBV