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Ligand

NameCHEMBL3091687
Molecular formulaC23H32N4
IUPAC nameN'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Molecular weight364.537
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsN'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
GTPL9882
TIQ-15
SCHEMBL16541326
BDBM50443541
Inchi KeyMYCKNKHATQGHEV-YADHBBJMSA-N
Inchi IDInChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1
PubChem CID57345320
ChEMBLCHEMBL3091687
IUPHAR9882
BindingDB50443541
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: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
216988C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
216985C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
216984C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
216983C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
216989C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
216980C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
216975C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
216981C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355
216982C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369
216986C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
216987C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
216976C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
216978C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
216977C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
216979C-X-C chemokine receptor type 6O00574CXCR6Homo sapiens (Human)342

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