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Ligand

NameCHEMBL326770
Molecular formulaC25H39N9O5
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight545.645
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP-2.3
SynonymsBDBM50037573
Neuropeptide FF(5-8)
(S)-2-[((S)-Pyrrolidine-2-carbonyl)-amino]-pentanedioic acid 5-amide 1-{[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}
ZINC27092669
Inchi KeyVVKYIUFJEDANQO-VJANTYMQSA-N
Inchi IDInChI=1S/C25H39N9O5/c26-20(35)11-10-18(33-22(37)16-8-4-12-30-16)24(39)32-17(9-5-13-31-25(28)29)23(38)34-19(21(27)36)14-15-6-2-1-3-7-15/h1-3,6-7,16-19,30H,4-5,8-14H2,(H2,26,35)(H2,27,36)(H,32,39)(H,33,37)(H,34,38)(H4,28,29,31)/t16-,17-,18-,19-/m0/s1
PubChem CID10030332
ChEMBLCHEMBL326770
IUPHARN/A
BindingDB50037573
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
365338Neuropeptide FF receptor 2Q9EQD2Npffr2Rattus norvegicus (Rat)417

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