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Ligand

NameCHEMBL42653
Molecular formulaC31H32ClN3O4
IUPAC nameN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-4-(4-chlorophenyl)-4-oxobutanamide
Molecular weight546.064
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsN-[1-[Acetyl(2-methoxybenzyl)aminomethyl]-2-(1H-indole-3-yl)ethyl]-4-oxo-4-(4-chlorophenyl)butanamide
Inchi KeyADWSWCTVCWXUAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H32ClN3O4/c1-21(36)35(19-23-7-3-6-10-30(23)39-2)20-26(17-24-18-33-28-9-5-4-8-27(24)28)34-31(38)16-15-29(37)22-11-13-25(32)14-12-22/h3-14,18,26,33H,15-17,19-20H2,1-2H3,(H,34,38)
PubChem CID44289757
ChEMBLCHEMBL42653
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3187Substance-P receptorP25103TACR1Homo sapiens (Human)407

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