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Ligand

NameSCHEMBL2235117
Molecular formulaC22H27ClN2O2
IUPAC name1-[[3-[[(1R)-1-(4-chloro-3-methylphenyl)propyl]amino]phenyl]methyl]-3-methylazetidine-3-carboxylic acid
Molecular weight386.92
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsUS8791100, 8
ANHBAXBXTSPASS-HXUWFJFHSA-N
CHEMBL3671022
1-{3-[(R)-1-(4-Chloro-3-methyl-phenyl)-propylamino]-benzyl}-3-methyl-azetidine-3-carboxylic acid
BDBM127510
Inchi KeyANHBAXBXTSPASS-HXUWFJFHSA-N
Inchi IDInChI=1S/C22H27ClN2O2/c1-4-20(17-8-9-19(23)15(2)10-17)24-18-7-5-6-16(11-18)12-25-13-22(3,14-25)21(26)27/h5-11,20,24H,4,12-14H2,1-3H3,(H,26,27)/t20-/m1/s1
PubChem CID53340432
ChEMBLCHEMBL3671022
IUPHARN/A
BindingDB127510
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
9559Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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