EVOBRUTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZA45457L1K

Structure
InChI Key QUIWHXQETADMGN-UHFFFAOYSA-N
Smile C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
InChI
InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N5O2
Molecular Weight 429.52
AlogP 4.35
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 93.37
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase BTK inhibitor PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- 5840 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 38 5600 - 1
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - - 42
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 9-8600 16 - 30
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - 3100 -
Membrane receptor
- 5840 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Relapsing-Remitting 3 D020529 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1415823-73-2
ChEMBL CHEMBL4072833
DrugBank DB15170
FDA SRS ZA45457L1K
Guide to Pharmacology 9752
PDB MZJ
PubChem 71479709
SureChEMBL SCHEMBL14165673
ZINC ZINC000205623965
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