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Ligand

NameCHEMBL363840
Molecular formulaC28H36FN7O
IUPAC name1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Molecular weight505.642
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.8
Synonyms1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
BDBM50163634
SCHEMBL18840850
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
Inchi KeyHEXTXRMVMKIBQR-RZPFDVGOSA-N
Inchi IDInChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)22-8-4-9-25(17-22)30-28(37)31-26-10-3-2-7-23(26)19-36-15-5-6-21(18-36)16-20-11-13-24(29)14-12-20/h4,8-9,11-14,17,21,23,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,37)/t21-,23-,26+/m0/s1
PubChem CID11272103
ChEMBLCHEMBL363840
IUPHARN/A
BindingDB50163634
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
113223C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
113221C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
113222C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
113228C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
113227C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
113224C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
113225C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
113226Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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