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Ligand

NameCHEMBL293200
Molecular formulaC43H45N5O6
IUPAC namebenzyl (2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoate
Molecular weight727.862
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP7.3
Synonymsbenzyl 2-[2-(1H-3-indolyl)-1-[2-(1H-3-indolyl)-1-tertiarybutyloxycarboxamido-(1R)-ethylcarboxamido]-(1R)-ethylcarboxamido]-3-phenyl-(2S)-propanoate
BDBM50002565
Inchi KeyBPBSCJWDFWAHGU-IZNNDHRXSA-N
Inchi IDInChI=1S/C43H45N5O6/c1-43(2,3)54-42(52)48-37(24-31-26-45-35-21-13-11-19-33(31)35)40(50)46-36(23-30-25-44-34-20-12-10-18-32(30)34)39(49)47-38(22-28-14-6-4-7-15-28)41(51)53-27-29-16-8-5-9-17-29/h4-21,25-26,36-38,44-45H,22-24,27H2,1-3H3,(H,46,50)(H,47,49)(H,48,52)/t36-,37-,38+/m1/s1
PubChem CID15755318
ChEMBLCHEMBL293200
IUPHARN/A
BindingDB50002565
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29388Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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