diacylglycerol kinase inhibitor II   Click here for help

GtoPdb Ligand ID: 5957

Synonyms: R 59 949 | R59949
Compound class: Synthetic organic
Comment: This compound inhibits diacylglycerol kinase activity [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 73.12
Molecular weight 489.17
XLogP 6.89
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F
Isomeric SMILES Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F
InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
R 59 949 | R59949
Database Links Click here for help
CAS Registry No. 120166-69-0
ChEMBL Ligand CHEMBL261131
GtoPdb PubChem SID 178102580
PubChem CID 657356
Search Google for chemical match using the InChIKey ZCNBZFRECRPCKU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZCNBZFRECRPCKU
UniChem Compound Search for chemical match using the InChIKey ZCNBZFRECRPCKU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZCNBZFRECRPCKU-UHFFFAOYSA-N