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Ligand

NameAC1LAJEP
Molecular formulaC39H44ClN5O4
IUPAC namebenzyl N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-methylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular weight682.262
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.2
SynonymsCarbamic acid, [1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]-3-methylbutyl]-4-piperidinyl]2-propenyl-, phenylmethyl ester
benzyl N-allyl-N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl]-4-piperidyl]carbamate
(5R)-3-[2-(3-Chlorophenyl)-2-methyl-4-[4-[allyl(benzyloxycarbonyl)amino]piperidino]butyl]-5beta-(1H-indole-3-ylmethyl)-2,4-imidazolidinedione
benzyl N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-methylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Inchi KeyDAVRJXPJVSQXKU-QQKHLPPFSA-N
Inchi IDInChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,35,41H,1,16-23,26-27H2,2H3,(H,42,47)/t35-,39?/m1/s1
PubChem CID489344
ChEMBLCHEMBL107439
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55393C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
55394C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
55389C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
55390C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
55391C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
55392C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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