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Ligand

NameCHEMBL310106
Molecular formulaC34H43ClN4O5S
IUPAC name(3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-propylcarbamate
Molecular weight655.251
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsAC1LAEJZ
BDBM50104273
(3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]-4-piperidyl]-N-propyl-carbamate
(3-carbamoylphenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-(3-chlorophenyl)butyl]piperidin-4-yl]-N-propylcarbamate
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-(3-chloro-phenyl)-butyl]-piperidin-4-yl}-propyl-carbamic acid 3-carbamoyl-benzyl ester
[ Show all ]
Inchi KeyAETDPCXHZHTWQD-GDLZYMKVSA-N
Inchi IDInChI=1S/C34H43ClN4O5S/c1-3-18-39(34(41)44-25-26-9-7-11-28(22-26)33(36)40)31-16-20-38(21-17-31)19-15-29(27-10-8-12-30(35)23-27)24-37(2)45(42,43)32-13-5-4-6-14-32/h4-14,22-23,29,31H,3,15-21,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1
PubChem CID486605
ChEMBLCHEMBL310106
IUPHARN/A
BindingDB50104273
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
3826C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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