indirubin-3'-monoxime

Ligand id: 5989

Name: indirubin-3'-monoxime

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 77.48
Molecular weight 277.09
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one
Synonyms
indirubin-3'-oxime
Database Links
CAS Registry No. 160807-49-8
ChEMBL Ligand CHEMBL126077
DrugBank Ligand DB02052
PubChem CID 5326739
Search Google for chemical match using the InChIKey LDEWQRSYYHTQRA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LDEWQRSYYHTQRA
Search UniChem for chemical match using the InChIKey LDEWQRSYYHTQRA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LDEWQRSYYHTQRA
SynPHARM 80430 (in complex with glycogen synthase kinase 3 beta)
Comments
Indirubin-3'-monoxime is a potent inhibitor of GSK-3β [3]. Please note that ChEMBL represents this compound as a tautomer of our structure.