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Ligand

NameCHEMBL401010
Molecular formulaC26H31F3N4O3
IUPAC nameN-[2-[[(2S)-3-[(2,4-dimethylphenyl)methylamino]-1-[(1-methylcyclopropyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight504.554
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.9
SynonymsBDBM50219891
SCHEMBL5126052
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(1-methylcyclopropylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi KeyBBDNWXOVFUSDDU-NRFANRHFSA-N
Inchi IDInChI=1S/C26H31F3N4O3/c1-16-7-8-19(17(2)11-16)13-30-14-21(24(36)33-25(3)9-10-25)32-22(34)15-31-23(35)18-5-4-6-20(12-18)26(27,28)29/h4-8,11-12,21,30H,9-10,13-15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1
PubChem CID44442557
ChEMBLCHEMBL401010
IUPHARN/A
BindingDB50219891
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19410C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
19409C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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