compound 27 [PMID: 32945666]   Click here for help

GtoPdb Ligand ID: 11294

Antimalarial Ligand
Compound class: Synthetic organic
Comment: Compound 27 is the most potent hit from a series of pyrazolo[3,4-b]pyridines compounds with dual-stage antimalarial activity [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 74.21
Molecular weight 458.21
XLogP 8.28
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C
Isomeric SMILES N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C
InChI InChI=1S/C30H26N4O/c1-19-26-27(23-12-8-9-13-25(23)35)24(18-31)28(20-14-16-21(17-15-20)30(2,3)4)32-29(26)34(33-19)22-10-6-5-7-11-22/h5-17,35H,1-4H3
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 434321729
PubChem CID 154733033
Search Google for chemical match using the InChIKey LIARSLHDKGMNOW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LIARSLHDKGMNOW
UniChem Compound Search for chemical match using the InChIKey LIARSLHDKGMNOW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LIARSLHDKGMNOW-UHFFFAOYSA-N