derenofylline   Click here for help

GtoPdb Ligand ID: 3281

Synonyms: SLV 320 | SLV-320 | SLV320
Compound class: Synthetic organic
Comment: Please note that the reference from which our data is derived does not specify stereochemistry for this compound, however, the INN- and CAS registry number- assigned structures, and chemical suppliers specify the stereocentres that we show here. This compound is represented without defined stereochemistry by Pubchem CID 9953065.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 73.83
Molecular weight 308.16
XLogP 3.6
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC1CCC(CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1
Isomeric SMILES O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1
InChI InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)/t13-,14-
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
9208 derenofylline
Synonyms Click here for help
SLV 320 | SLV-320 | SLV320
Database Links Click here for help
Specialist databases
GPCRdb Ligand derenofylline
Other databases
CAS Registry No. 251945-92-3 (source: Scifinder)
GtoPdb PubChem SID 178100322
PubChem CID 9953065
Search Google for chemical match using the InChIKey RBZNJGHIKXAKQE-HDJSIYSDSA-N
Search Google for chemicals with the same backbone RBZNJGHIKXAKQE
Search PubMed clinical trials derenofylline
Search PubMed titles derenofylline
Search PubMed titles/abstracts derenofylline
UniChem Compound Search for chemical match using the InChIKey RBZNJGHIKXAKQE-HDJSIYSDSA-N
UniChem Connectivity Search for chemical match using the InChIKey RBZNJGHIKXAKQE-HDJSIYSDSA-N

Product suppliers

View disclaimer

SLV 320 (links to external site)
Cat. No. 3344