CAS Registry No. - 936563-96-1
ChEMBL Ligand - CHEMBL1873475
PEP - ibrutinib
PubChem CID - 24821094
RCSB PDB Ligand - 1E8
Wikipedia - Ibrutinib
DrugCentral Ligand - 4810
Reactome Drug - R-ALL-9678901
Reactome Reaction - R-HSA-9679028
ibrutinib
Structure
Molecular Details
| Molecular mass (Da) | 440.19608 |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Polar surface area (A2) | 99.16 |
| Lipinski rules broken | 0 |
| logP | 4.182 |
Other Details
| Ligand type | Synthetic organic |
| Radiolabelled | No |
| Approved | Yes |
| Approval Source | FDA and EMA (2013) |
Responsive Sequences