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Ligand

NameCHEMBL203113
Molecular formulaC33H33F6N5O3
IUPAC name(3R)-4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)-N-[2-[(2-methoxyphenyl)methylamino]ethyl]piperazine-1-carboxamide
Molecular weight661.649
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP5.4
SynonymsBDBM50410798
Inchi KeyARDKXDPBRYTTRZ-AREMUKBSSA-N
Inchi IDInChI=1S/C33H33F6N5O3/c1-47-29-9-5-2-6-21(29)18-40-10-11-41-31(46)43-12-13-44(26(20-43)16-23-19-42-28-8-4-3-7-27(23)28)30(45)22-14-24(32(34,35)36)17-25(15-22)33(37,38)39/h2-9,14-15,17,19,26,40,42H,10-13,16,18,20H2,1H3,(H,41,46)/t26-/m1/s1
PubChem CID9874480
ChEMBLCHEMBL203113
IUPHARN/A
BindingDB50410798
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12343Substance-P receptorP25103TACR1Homo sapiens (Human)407

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