compound 16d [Tao et al., 2009]

Ligand id: 9988

Name: compound 16d [Tao et al., 2009]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 86.86
Molecular weight 464.2
XLogP 2.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2‐Methyl‐11‐(1‐methylethyl)‐8‐(pyrimidin‐2‐yloxy)‐2,5,6,11,12,13‐hexahydro‐4H‐indazolo[5,4‐a]pyrrolo[3,4‐c]carbazol‐4‐one
Synonyms
example 19 [US8084472]
Comments
Compound 16d is a second generation, nanomolar inhibitor of dual leucine zipper kinase (DLK) [2]. It is claimed in example 19 in Cephalon's patent US8084472 [1].
Database Links
GtoPdb PubChem SID 374883875
PubChem CID 11305809
Search Google for chemical match using the InChIKey GCRBQBQLMPBGQC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GCRBQBQLMPBGQC
Search UniChem for chemical match using the InChIKey GCRBQBQLMPBGQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GCRBQBQLMPBGQC