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Ligand

NameCHEMBL118365
Molecular formulaC39H40FN5O6
IUPAC name(3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[4-[[(2R)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
Molecular weight693.776
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP4.3
SynonymsN/A
Inchi KeyBKDVSWSBINPTGJ-KKLWWLSJSA-N
Inchi IDInChI=1S/C39H40FN5O6/c40-30-13-10-25(11-14-30)17-19-41-39(51)34(23-37(48)49)45-36(47)16-15-35(46)44-33(22-29-24-43-32-8-4-3-7-31(29)32)38(50)42-20-18-26-9-12-27-5-1-2-6-28(27)21-26/h1-14,21,24,33-34,43H,15-20,22-23H2,(H,41,51)(H,42,50)(H,44,46)(H,45,47)(H,48,49)/t33-,34-/m1/s1
PubChem CID44344904
ChEMBLCHEMBL118365
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25704Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430

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