JAK inhibitor I

Ligand id: 5992

Name: JAK inhibitor I

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.78
Molecular weight 309.13
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(17),2(6),4,7(12),8,13,15-heptaen-11-one
Synonyms
CMP-6
Database Links
CAS Registry No. 457081-03-7
ChEMBL Ligand CHEMBL21156
DrugBank Ligand DB04716
PubChem CID 5494425
RCSB PDB Ligand IZA
Search Google for chemical match using the InChIKey VNDWQCSOSCCWIP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VNDWQCSOSCCWIP
Search UniChem for chemical match using the InChIKey VNDWQCSOSCCWIP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VNDWQCSOSCCWIP
SynPHARM 80436 (in complex with Janus kinase 2)
80437 (in complex with Janus kinase 3)
80438 (in complex with tyrosine kinase 2)