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Ligand

NameCHEMBL21892
Molecular formulaC47H68F3N11O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Molecular weight972.125
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyNQHNXHWDSCZUAP-SMAFADSGSA-N
Inchi IDInChI=1S/C45H67N11O6.C2HF3O2/c1-5-28(4)37(41(58)54-35(43(60)61)24-27(2)3)56-40(57)34(25-29-26-52-33-19-11-10-16-30(29)33)53-42(59)39-32(17-9-6-7-12-21-50-44(46)47)31-18-15-20-36(38(31)55-39)62-23-14-8-13-22-51-45(48)49;3-2(4,5)1(6)7/h10-11,15-16,18-20,26-28,34-35,37,52,55H,5-9,12-14,17,21-25H2,1-4H3,(H,53,59)(H,54,58)(H,56,57)(H,60,61)(H4,46,47,50)(H4,48,49,51);(H,6,7)/t28-,34-,35-,37-;/m0./s1
PubChem CID44274486
ChEMBLCHEMBL21892
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229521Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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