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Ligand

NameCHEMBL3143253
Molecular formulaC43H54FN9O7
IUPAC name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-7-amino-3-oxoheptanamide
Molecular weight827.959
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP2.5
SynonymsN/A
Inchi KeyAXHJYYHVIYNCRB-KOAZTLLZSA-N
Inchi IDInChI=1S/C43H54FN9O7/c1-26(2)22-34(40(58)50-33(10-7-21-45)37(55)25-38(46)56)51-41(59)35(23-29-13-18-32(19-14-29)49-43(47)48)52-42(60)36(24-30-11-16-31(44)17-12-30)53(27(3)54)39(57)20-15-28-8-5-4-6-9-28/h4-6,8-9,11-20,26,33-36H,7,10,21-25,45H2,1-3H3,(H2,46,56)(H,50,58)(H,51,59)(H,52,60)(H4,47,48,49)/b20-15+/t33-,34-,35-,36-/m0/s1
PubChem CID90663294
ChEMBLCHEMBL3143253
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
16705Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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