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Ligand

NameCHEMBL207742
Molecular formulaC29H42N6O3
IUPAC name(2S)-2-[[6-butyl-2-[4-(4-methoxyphenyl)imidazol-1-yl]pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
Molecular weight522.694
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50184521
(2S)-2-(6-butyl-2-(4-(4-methoxyphenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
Inchi KeyAKGCMDKHNYUHMH-VWLOTQADSA-N
Inchi IDInChI=1S/C29H42N6O3/c1-6-8-10-23-18-27(33-25(17-21(3)4)28(36)30-15-9-16-38-7-2)34-29(32-23)35-19-26(31-20-35)22-11-13-24(37-5)14-12-22/h11-14,18-21,25H,6-10,15-17H2,1-5H3,(H,30,36)(H,32,33,34)/t25-/m0/s1
PubChem CID44410903
ChEMBLCHEMBL207742
IUPHARN/A
BindingDB50184521
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7509C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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