IZENCITINIB

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Synonyms
Status
Molecule Category Free-form
UNII 2ZT81PV5UM

Structure

InChI Key DADAEARVGOQWHV-OSYLJGHBSA-N
Smiles Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CC[C@@H](C3)N4CCC#N)n2)n[nH]1
InChI
InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N8
Molecular Weight 402.51
AlogP 3.73
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 105.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Janus Kinase (JAK) inhibitor INHIBITOR PubMed

Target Conservation

Protein: Janus Kinase (JAK)
Description: Tyrosine-protein kinase JAK2
Organism : Homo sapiens
O60674 ENSG00000096968
Protein: Janus Kinase (JAK)
Description: Tyrosine-protein kinase JAK1
Organism : Homo sapiens
P23458 ENSG00000162434
Protein: Janus Kinase (JAK)
Description: Non-receptor tyrosine-protein kinase TYK2
Organism : Homo sapiens
P29597 ENSG00000105397

Cross References

Resources Reference
ChEMBL CHEMBL4650343
FDA SRS 2ZT81PV5UM
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