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Ligand

NameMLS003777924
Molecular formulaC25H28Cl3N3O3
IUPAC name(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
Molecular weight524.867
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.8
SynonymsCHEMBL2356494
(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide
SMR002440904
BDBM96885
(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide
[ Show all ]
Inchi KeyCKUPHHILFUTXSL-VXKWHMMOSA-N
Inchi IDInChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)17-9-10-19(27)20(28)14-17)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-18(16)26/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32)/t21-,22-/m0/s1
PubChem CID53361926
ChEMBLCHEMBL2356494
IUPHARN/A
BindingDB96885
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
44425Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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