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Ligand

NameCHEMBL377120
Molecular formulaC24H37N5O2
IUPAC name(2S)-2-[(6-butyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-N-(3-ethoxypropyl)-4-methylpentanamide
Molecular weight427.593
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50184515
(S)-2-(6-butyl-2-(pyridin-4-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
Inchi KeyBRATTWZIZIVAAP-NRFANRHFSA-N
Inchi IDInChI=1S/C24H37N5O2/c1-5-7-9-20-17-22(29-23(27-20)19-10-13-25-14-11-19)28-21(16-18(3)4)24(30)26-12-8-15-31-6-2/h10-11,13-14,17-18,21H,5-9,12,15-16H2,1-4H3,(H,26,30)(H,27,28,29)/t21-/m0/s1
PubChem CID44410826
ChEMBLCHEMBL377120
IUPHARN/A
BindingDB50184515
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
30830C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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