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Ligand

NameCHEMBL1762268
Molecular formulaC18H28N4O3S
IUPAC name1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyridin-3-yl]sulfonyl-3-tert-butyl-1-methylurea
Molecular weight380.507
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
Synonyms(+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(tert-butylcarbamoyl)-N-methylpyridine-3-sulfonamide
BDBM50340985
Inchi KeyDTNIFHDQESVTDC-GZBFAFLISA-N
Inchi IDInChI=1S/C18H28N4O3S/c1-18(2,3)21-17(23)22(4)26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,5-6,9-10H2,1-4H3,(H,19,20)(H,21,23)/t12-,13+,15+/m0/s1
PubChem CID54583451
ChEMBLCHEMBL1762268
IUPHARN/A
BindingDB50340985
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
68480Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
68481Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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