Molecule Details
InChIKeySEJLPXCPMNSRAM-GOSISDBHSA-N
Compound NameTirabrutinib
Canonical SMILESCC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)7
Pfam Stratification Homologous
Avg pChEMBL6.93
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB15227
Drug NameTirabrutinib
CAS Number1351636-18-4
Groups investigational
ATC Codes L01EL06
DescriptionTirabrutinib is under investigation in clinical trial NCT02626026 (Safety and Pharmacokinetics of GS-4059 in Healthy Volunteers and Subjects With Rheumatoid Arthritis (RA)).
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Bruton's tyrosine kinase (BTK) inhibitors Protein Kinase Inhibitors
Cross-references: BindingDB: 194087 CHEMBL4071161 ChemSpider: 58171734 PDB: A1EK0 Wikipedia: Tirabrutinib ZINC: ZINC000072318699
Target Activities (7)
Target Gene Organism Category Pfam pChEMBL Type Source
P51813 BMX Homo sapiens Human PF00779 PF00169 PF07714 PF00017 7.8 IC50 ChEMBL;BindingDB
P42680 TEC Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 7.8 IC50 ChEMBL;BindingDB
Q06187 BTK Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 7.2 IC50 ChEMBL;BindingDB
P42681 TXK Homo sapiens Human PF07714 PF00017 PF00018 6.9 IC50 ChEMBL;BindingDB
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.4 IC50 ChEMBL;BindingDB
P04626 ERBB2 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.2 Kd ChEMBL;BindingDB
Q15303 ERBB4 Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.0 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
Q06187 BTK Tyrosine-protein kinase BTK inhibitor targets