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Ligand

NameCHEMBL3143254
Molecular formulaC41H52FN9O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-4-methylpentanamide
Molecular weight785.922
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP2.7
SynonymsN/A
Inchi KeyAAWTTXKKNWSFMP-UUMRZIGESA-N
Inchi IDInChI=1S/C41H52FN9O6/c1-25(2)22-33(38(55)48-32(37(44)54)10-7-21-43)49-39(56)34(23-28-13-18-31(19-14-28)47-41(45)46)50-40(57)35(24-29-11-16-30(42)17-12-29)51(26(3)52)36(53)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24,43H2,1-3H3,(H2,44,54)(H,48,55)(H,49,56)(H,50,57)(H4,45,46,47)/b20-15+/t32-,33-,34-,35-/m0/s1
PubChem CID90663295
ChEMBLCHEMBL3143254
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
585Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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