SGI-1027

Ligand id: 8891

Name: SGI-1027

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 117.85
Molecular weight 461.2
XLogP 5.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide
Synonyms
SGI 1027 | SGI1027
Database Links
BindingDB Ligand 50430056
CAS Registry No. 1020149-73-8 (source: PubChem)
ChEMBL Ligand CHEMBL2336409
PubChem CID 24858111
Search Google for chemical match using the InChIKey QSYLKMKIVWJAAK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QSYLKMKIVWJAAK
Search UniChem for chemical match using the InChIKey QSYLKMKIVWJAAK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QSYLKMKIVWJAAK
Comments
SGI-1027 is a non-nucleoside inhibitor of human DNA methyltransferase DNMT1 [1]. Alternative analogues are also investigated in [1].