Vecabrutinib succinateProduct ingredient for Vecabrutinib
- Name
- Vecabrutinib succinate
- Drug Entry
- Vecabrutinib
Vecabrutinib is under investigation in clinical trial NCT03037645 (Safety, PK, PD, and Antitumor Activity of Vecabrutinib (SNS-062) in B Lymphoid Cancers).
- Accession Number
- DBSALT003171
- Structure
Structure for Vecabrutinib succinate (DBSALT003171)
- Synonyms
- Not Available
- External IDs
- SNS-062 succinate
- UNII
- UCGZNSAOIG
- CAS Number
- 1947403-49-7
- Weight
- Average: 648.01
Monoisotopic: 647.1882221 - Chemical Formula
- C26H30ClF4N7O6
- InChI Key
- XGMXOWYNGVEUHA-CLUYDPBTSA-N
- InChI
- InChI=1S/C22H24ClF4N7O2.C4H6O4/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20;5-3(6)1-2-4(7)8/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31);1-2H2,(H,5,6)(H,7,8)/t14-,15+,16-;/m0./s1
- IUPAC Name
- (3R,3'R,4'S)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-{[3-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxo-[1,3'-bipiperidine]-4'-carboxamide; butanedioic acid
- SMILES
- OC(=O)CCC(O)=O.[H][C@]1(CCCN(C1=O)[C@@]1([H])CN(CC[C@]1([H])C(N)=O)C1=NC=NC(N)=C1F)NC1=CC(=CC(Cl)=C1)C(F)(F)F
- External Links
- ChemSpider
- 81368430
- ChEMBL
- CHEMBL4298148
- Predicted Properties
Property Value Source Water Solubility 0.0896 mg/mL ALOGPS logP 2.47 ALOGPS logP 2.19 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 14.96 Chemaxon pKa (Strongest Basic) 4.97 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 130.47 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 127.86 m3·mol-1 Chemaxon Polarizability 47.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon