JNJ-7706621

Ligand id: 5932

Name: JNJ-7706621

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 154.37
Molecular weight 394.07
XLogP 1.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
Synonyms
aurora kinase/Cdk inhibitor | JNJ7706621
Comments
JNJ-7706621 was originally identified as a pan-CDK and Aurora A/B kinase inhibitor [4]. JNJ-7706621 binding to the pseudo (JH2) kinase domain of Janus kinase 2 has been reported more recently [5]. This mechanism of JAK inhibition is viewed as offering a potentially novel pharmacological modality as an alternative to targeting the active kinase (JH1) domain and its ATP binding pocket.
Database Links
CAS Registry No. 443797-96-4
ChEMBL Ligand CHEMBL191003
GtoPdb PubChem SID 178102555
PubChem CID 5330790
RCSB PDB Ligand SKE
Search Google for chemical match using the InChIKey KDKUVYLMPJIGKA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KDKUVYLMPJIGKA
Search UniChem for chemical match using the InChIKey KDKUVYLMPJIGKA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KDKUVYLMPJIGKA
SynPHARM 85312 (in complex with Janus kinase 2)