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Ligand

NameSCHEMBL2694924
Molecular formulaC16H16N6O
IUPAC name6-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrazine-2-carbonitrile
Molecular weight308.345
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.4
SynonymsCHEMBL3656504
ZINC169701171
BDBM119164
US8673950, 31
Inchi KeyBVKWOUZQWOJNMH-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H16N6O/c17-7-14-8-19-9-15(21-14)20-12-4-1-11(2-5-12)3-6-13-10-23-16(18)22-13/h1-2,4-5,8-9,13H,3,6,10H2,(H2,18,22)(H,20,21)/t13-/m0/s1
PubChem CID56967604
ChEMBLCHEMBL3656504
IUPHARN/A
BindingDB119164
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33833Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
33834Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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