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Ligand

NameCHEMBL408861
Molecular formulaC64H79FN12O10
IUPAC name(2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[3-(4-fluorophenyl)propanoylamino]-3-naphthalen-1-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1195.41
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP5.3
SynonymsN/A
Inchi KeyABYQVHQOXAVSNM-WZDVYTITSA-N
Inchi IDInChI=1S/C64H79FN12O10/c1-4-68-62(86)55-19-11-31-77(55)63(87)49(18-10-30-69-64(66)67)72-57(81)50(32-38(2)3)73-60(84)53(35-43-36-70-48-17-8-7-16-47(43)48)75-58(82)51(33-40-22-27-45(79)28-23-40)74-61(85)54(37-78)76-59(83)52(34-42-14-9-13-41-12-5-6-15-46(41)42)71-56(80)29-24-39-20-25-44(65)26-21-39/h5-9,12-17,20-23,25-28,36,38,49-55,70,78-79H,4,10-11,18-19,24,29-35,37H2,1-3H3,(H,68,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,66,67,69)/t49-,50-,51-,52?,53+,54-,55+/m0/s1
PubChem CID44375740
ChEMBLCHEMBL408861
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1310Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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