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Ligand

NameCHEMBL3344423
Molecular formulaC22H22Cl2FN5O4
IUPAC name[4-[3-[4-[(2S)-2-amino-3-hydroxypropoxy]-2-chloro-5-fluorophenyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
Molecular weight510.347
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50027942
Inchi KeyAJXAOSOMBAPPOA-HNNXBMFYSA-N
Inchi IDInChI=1S/C22H22Cl2FN5O4/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-27-20(28-34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/t15-/m0/s1
PubChem CID118717781
ChEMBLCHEMBL3344423
IUPHARN/A
BindingDB50027942
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441996Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
441997Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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