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Ligand

NameCHEMBL3356406
Molecular formulaC24H24F3N3O5
IUPAC name2-[(5R)-4-[2-[3-(2-cyclopropylacetyl)oxyphenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight491.467
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50041418
8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(cyclopropylacetyloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid
Inchi KeyCGQOANXOCNXBEZ-GOSISDBHSA-N
Inchi IDInChI=1S/C24H24F3N3O5/c25-24(26,27)19-7-6-17-18(13-21(32)33)30(9-8-28-23(17)29-19)20(31)11-15-2-1-3-16(10-15)35-22(34)12-14-4-5-14/h1-3,6-7,10,14,18H,4-5,8-9,11-13H2,(H,28,29)(H,32,33)/t18-/m1/s1
PubChem CID118721524
ChEMBLCHEMBL3356406
IUPHARN/A
BindingDB50041418
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
443334Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
443335Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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