ORELABRUTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WJA5UO9E10

Structure
InChI Key MZPVEMOYADUARK-UHFFFAOYSA-N
Smile C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1
InChI
InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H25N3O3
Molecular Weight 427.5
AlogP 4.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 85.52
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase BTK inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 5900 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 1.6-20 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 3 D015451 ClinicalTrials
Lymphoma, B-Cell, Marginal Zone 3 D018442 ClinicalTrials
Lymphoma, Mantle-Cell 3 D020522 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 3 D016403 ClinicalTrials
Waldenstrom Macroglobulinemia 2 D008258 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Purpura, Thrombocytopenic, Idiopathic 2 D016553 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 2 D020529 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650321
FDA SRS WJA5UO9E10
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