pirtobrutinib   Click here for help

GtoPdb Ligand ID: 11628

Synonyms: BTK inhibitor 16 | LOXO-305 | LOXO305
Compound class: Synthetic organic
Comment: Pirtobrutinib (LOXO-305) is a clinical stage, selective and reversible, oral Bruton' tyrosine kinase (BTK) inhibitor that was developed by LOXO oncology [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 125.26
Molecular weight 479.16
XLogP 4.44
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F
Isomeric SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F
InChI InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1
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
11681 pirtobrutinib
Synonyms Click here for help
BTK inhibitor 16 | LOXO-305 | LOXO305
Database Links Click here for help
CAS Registry No. 2101700-15-4 (source: USAN record)
GtoPdb PubChem SID 442878662
PubChem CID 129269915
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UniChem Compound Search for chemical match using the InChIKey FWZAWAUZXYCBKZ-NSHDSACASA-N
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