ELSUBRUTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1487U1Q3IQ

Structure
InChI Key UNHZLHSLZZWMNP-LLVKDONJSA-N
Smile C=CC(=O)N1CCC[C@@H](c2ccc(C(N)=O)c3[nH]ccc23)C1
InChI
InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N3O2
Molecular Weight 297.36
AlogP 2.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 79.19
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

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

Mesh Heading Maximum Phase Mesh ID Reference
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4594348
FDA SRS 1487U1Q3IQ
Guide to Pharmacology 10464
PubChem 117773770
SureChEMBL SCHEMBL16337209
ZINC ZINC000220885814
CONTENTS