aloisine A

Ligand id: 5924

Name: aloisine A

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 61.54
Molecular weight 267.14
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
4-{7-butyl-1H,5H,6H-pyrrolo[2,3-b]pyrazin-6-ylidene}cyclohexa-2,5-dien-1-one
Synonyms
RP107
Comments
Aloisine A has inhibitory effect for several CDK and GSK kinases [3]. Please note that ChEMBL and DrugBank represent this compound at a tautomer of our structure.
Database Links
CAS Registry No. 496864-16-5
ChEMBL Ligand CHEMBL75680
DrugBank Ligand DB07364
GtoPdb PubChem SID 178102547
PubChem CID 5326843
Search Google for chemical match using the InChIKey AYIIQABSVDIZSY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AYIIQABSVDIZSY
Search UniChem for chemical match using the InChIKey AYIIQABSVDIZSY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AYIIQABSVDIZSY
SynPHARM 80334 (in complex with cyclin dependent kinase 5)