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Ligand

NameCHEMBL3356404
Molecular formulaC24H26F3N3O5
IUPAC name2-[(5R)-4-[2-[3-(3-methylbutanoyloxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight493.483
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.3
Synonymscompound 17c
D0A1FE
GTPL8507
BDBM50041416
compound 17c [PMID: 25497965]
[ Show all ]
Inchi KeyCJLZUKCACMUYFP-GOSISDBHSA-N
Inchi IDInChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1
PubChem CID91827364
ChEMBLCHEMBL3356404
IUPHAR8507
BindingDB50041416
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
43479Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
443400Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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