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Ligand

NameCHEMBL432170
Molecular formulaC29H40F3N5O
IUPAC name(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]piperidin-1-yl]methanone
Molecular weight531.668
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50145684
(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]-1-piperidyl]methanone
(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]piperidin-1-yl]methanone
AC1MHPZH
(4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-butyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
[ Show all ]
Inchi KeyAKVBPIBFLBXBAR-CPJSRVTESA-N
Inchi IDInChI=1S/C29H40F3N5O/c1-6-7-25(23-8-10-24(11-9-23)29(30,31)32)37-17-16-36(18-20(37)2)28(5)12-14-35(15-13-28)27(38)26-21(3)33-19-34-22(26)4/h8-11,19-20,25H,6-7,12-18H2,1-5H3/t20-,25-/m0/s1
PubChem CID3009353
ChEMBLCHEMBL432170
IUPHARN/A
BindingDB50145684
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7924C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
7923Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
7922Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
7925Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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