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Ligand

NameCHEMBL332740
Molecular formulaC15H24N4O4
IUPAC name(2S)-2-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-amino-2-oxoethyl)-4-methylpentanamide
Molecular weight324.381
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP-0.4
Synonyms(S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-pentanoic acid carbamoylmethyl-amide
BDBM50060600
(S)-2-[[(8aS)-Octahydro-1,4-dioxopyrrolo[1,2-a]pyrazin]-2-yl]-4-methyl-N-(2-amino-2-oxoethyl)pentanamide
Inchi KeyDNVVWPSQSKLWQF-QWRGUYRKSA-N
Inchi IDInChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
PubChem CID10663749
ChEMBLCHEMBL332740
IUPHARN/A
BindingDB50060600
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
64704D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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