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Compound Detail

CHEMBL4594348

ELSUBRUTINIB
🧪 Phase II
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🧪 Phase II
C=CC(=O)N1CCC[C@@H](c2ccc(C(N)=O)c3[nH]ccc23)C1

Basic Information

ChEMBL ID CHEMBL4594348
Name ELSUBRUTINIB
Phase Phase II
Structure Type MOL
InChI Key UNHZLHSLZZWMNP-LLVKDONJSA-N

Known Names

ABBV-105 ABBV105 Elsubrutinib
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

297.4
MW (Da)
2.16
ALogP
2
HBA
2
HBD
79.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tinib
USAN Year 2021

Extended Properties

Molecular Formula C17H19N3O2
MW 297.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.24

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Tyrosine-protein kinase BTK inhibitor INHIBITOR Tyrosine-protein kinase BTK

Indications

Arthritis, Rheumatoid Lupus Erythematosus, Systemic

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase BTK
CHEMBL5251
IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33609659 10.1016/j.bmcl.2021.127862 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine