Compound Detail
CHEMBL4483575
REMIBRUTINIB 🧪 Phase III
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🧪 Phase III
C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C
Basic Information
| ChEMBL ID | CHEMBL4483575 |
| Name | REMIBRUTINIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | CUABMPOJOBCXJI-UHFFFAOYSA-N |
14
Targets
26
Activities
2
Assay Types
19
PK Parameters
20
Publications
3
Known Names
6
Indications
Molecular Properties
507.5
MW (Da)
4.47
ALogP
6
HBA
2
HBD
110.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Chronic Urticaria Immune System Diseases Multiple Sclerosis Hypersensitivity Sjogren's Syndrome Liver Diseases
ATC Classification
L04AA60
remibrutinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS
Activity Summary
IC50 13 meas. best 9.0
Kd 13 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | Kd | 9.62 | 9.41 | 0.2 | 2 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.0 | 8.5922 | 1.0 | 9 |
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Tyrosine-protein kinase Tec CHEMBL4246 | Kd | 7.11 | 7.035 | 77.0 | 2 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | Kd | 6.27 | 6.115 | 540.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | Kd | 4.77 | 4.77 | 17000.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Kd | 4.72 | 4.72 | 19000.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 325.0 | mL.min-1.g-1 | Mus musculus |
| CL | 146.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 44.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 97.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 29.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 214.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 80.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 97.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 29.0 | % | Rattus norvegicus |
| F | 16.0 | % | Mus musculus |
| F | 5.0 | % | Canis lupus familiaris |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 0.9 | hr | Canis lupus familiaris |
| Tmax | 0.3 | hr | Rattus norvegicus |
| Tmax | 0.3 | hr | Mus musculus |
| Tmax | 0.8 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine