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Ligand

NameCHEMBL332793
Molecular formulaC27H25Cl2F6N3O3
IUPAC nameN-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3S)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
Molecular weight624.405
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP6.2
SynonymsN/A
Inchi KeyBHCJHYIMNHXLOM-UDNXBLAOSA-N
Inchi IDInChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22-/m0/s1
PubChem CID10232846
ChEMBLCHEMBL332793
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23619Substance-K receptorP21452TACR2Homo sapiens (Human)398
23618Substance-P receptorP25103TACR1Homo sapiens (Human)407

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