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Ligand

NameCHEMBL401009
Molecular formulaC25H31F3N4O3
IUPAC nameN-[2-[[(2S)-3-[(2,4-dimethylphenyl)methylamino]-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight492.543
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50219902
SCHEMBL5112814
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(isopropylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi KeyBRRZJXMTXJQZFT-NRFANRHFSA-N
Inchi IDInChI=1S/C25H31F3N4O3/c1-15(2)31-24(35)21(13-29-12-19-9-8-16(3)10-17(19)4)32-22(33)14-30-23(34)18-6-5-7-20(11-18)25(26,27)28/h5-11,15,21,29H,12-14H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/t21-/m0/s1
PubChem CID10206776
ChEMBLCHEMBL401009
IUPHARN/A
BindingDB50219902
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31293C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
31294C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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