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Ligand

NameCHEMBL2349317
Molecular formulaC19H22N6OS2
IUPAC name3-[(1S)-1-[[2-amino-7-[[(2R)-1-hydroxypentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethyl]benzonitrile
Molecular weight414.546
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50432470
SCHEMBL215277
Inchi KeyPNKYTKPWPKRAKI-SMDDNHRTSA-N
Inchi IDInChI=1S/C19H22N6OS2/c1-3-5-14(10-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(2)13-7-4-6-12(8-13)9-20/h4,6-8,11,14,26H,3,5,10H2,1-2H3,(H3,21,22,23,24,25)/t11-,14+/m0/s1
PubChem CID71625625
ChEMBLCHEMBL2349317
IUPHARN/A
BindingDB50432470
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
264091C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
264090CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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