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Ligand

NameCHEMBL2349318
Molecular formulaC19H21N5O2S2
IUPAC name3-[(1S)-1-[[7-[[(2R)-1-hydroxypentan-2-yl]amino]-2-oxo-3H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethyl]benzonitrile
Molecular weight415.53
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50432469
SCHEMBL211990
Inchi KeyCOQNFUICOUPODA-SMDDNHRTSA-N
Inchi IDInChI=1S/C19H21N5O2S2/c1-3-5-14(10-25)21-16-15-17(24-19(26)28-15)23-18(22-16)27-11(2)13-7-4-6-12(8-13)9-20/h4,6-8,11,14,25H,3,5,10H2,1-2H3,(H2,21,22,23,24,26)/t11-,14+/m0/s1
PubChem CID66622526
ChEMBLCHEMBL2349318
IUPHARN/A
BindingDB50432469
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
46891C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
46892CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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