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Ligand

NameCHEMBL252222
Molecular formulaC23H31N7O3
IUPAC name1-[(2R,3S)-3-hydroxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]butan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight453.547
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50231351
SCHEMBL18841017
1-((2R,3S)-3-hydroxy-4-(((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)butan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
Inchi KeyBVVNIEMHJMWNCD-ALGWMNEGSA-N
Inchi IDInChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21+/m1/s1
PubChem CID44447369
ChEMBLCHEMBL252222
IUPHARN/A
BindingDB50231351
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
34104C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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