CERDULATINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D1LXQ45S1O

Structure
InChI Key BGLPECHZZQDNCD-UHFFFAOYSA-N
Smile CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1
InChI
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27N7O3S
Molecular Weight 445.55
AlogP 1.37
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 133.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 12 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 12 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vitiligo 2 D014820 ClinicalTrials
Enteropathy-Associated T-Cell Lymphoma 2 D058527 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Lymphoma, Follicular 1 D008224 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1198300-79-6
ChEMBL CHEMBL4116008
DrugBank DB15499
FDA SRS D1LXQ45S1O
Guide to Pharmacology 8957
PubChem 44595079
SureChEMBL SCHEMBL736734
ZINC ZINC000114483165
CONTENTS