spebrutinib   Click here for help

GtoPdb Ligand ID: 7837

Synonyms: AVL 292 | AVL-292 | cc-292
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Spebrutinib acts as an inhibitor of Bruton's tyrosine kinase (BTK).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 97.4
Molecular weight 423.17
XLogP 3.04
No. Lipinski's rules broken 0
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Canonical SMILES COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F
Isomeric SMILES COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F
InChI InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10004 spebrutinib
Synonyms Click here for help
AVL 292 | AVL-292 | cc-292
Database Links Click here for help
CAS Registry No. 1202757-89-8
ChEMBL Ligand CHEMBL3301625
GtoPdb PubChem SID 223366168
PubChem CID 59174488
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