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Ligand

NameCHEMBL3217121
Molecular formulaC24H30Cl4N6
IUPAC name2-[(1R,2S)-2-[[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]amino]cyclohexyl]guanidine;trihydrochloride
Molecular weight544.346
Hydrogen bond acceptor4
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyAMCWXNQITISICH-NKEJUGFZSA-N
Inchi IDInChI=1S/C24H27ClN6.3ClH/c1-15-6-12-19-18(14-15)23(29-20-4-2-3-5-21(20)30-24(26)27)31-22(28-19)13-9-16-7-10-17(25)11-8-16;;;/h6-14,20-21H,2-5H2,1H3,(H4,26,27,30)(H,28,29,31);3*1H/b13-9+;;;/t20-,21+;;;/m0.../s1
PubChem CID90665163
ChEMBLCHEMBL3217121
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
8751Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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