dabuzalgron   Click here for help

GtoPdb Ligand ID: 3469

Synonyms: R 450 | Ro-115-1240 | Ro-1151240190
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 88.17
Molecular weight 317.06
XLogP 1.46
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
Isomeric SMILES Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
InChI InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)
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
8386 dabuzalgron
Synonyms Click here for help
R 450 | Ro-115-1240 | Ro-1151240190
Database Links Click here for help
Specialist databases
GPCRdb Ligand dabuzalgron
Other databases
CAS Registry No. 219311-44-1 (source: Scifinder)
ChEMBL Ligand CHEMBL257978
GtoPdb PubChem SID 178100463
PubChem CID 216249
Search Google for chemical match using the InChIKey FOYWMEJSRSBQGB-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FOYWMEJSRSBQGB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FOYWMEJSRSBQGB-UHFFFAOYSA-N