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Ligand

NameCHEMBL1793998
Molecular formulaC37H55FN6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-fluorophenyl]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight730.879
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP2.5
SynonymsBDBM50366372
Inchi KeyUFAYBCJRXVTTCW-OTEZZXHMSA-N
Inchi IDInChI=1S/C37H55FN6O8/c1-8-23(4)31(33(47)41-30(34(48)49)19-22(2)3)43-35(50)44(21-24-12-15-26(45)16-13-24)25-14-17-27(38)29(20-25)40-32(46)28(11-9-10-18-39)42-36(51)52-37(5,6)7/h12-17,20,22-23,28,30-31,45H,8-11,18-19,21,39H2,1-7H3,(H,40,46)(H,41,47)(H,42,51)(H,43,50)(H,48,49)/t23-,28-,30-,31-/m0/s1
PubChem CID56675098
ChEMBLCHEMBL1793998
IUPHARN/A
BindingDB50366372
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
335307Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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