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Ligand

NameCHEMBL334186
Molecular formulaC46H59N9O7
IUPAC name3-[(2R,5S,8R,11S,14R)-14-benzyl-5-[3-(benzylamino)-3-oxopropyl]-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
Molecular weight850.034
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP2.4
SynonymsBDBM50407246
Inchi KeyRFNRRPMEWYLPBS-PKQGBPMKSA-N
Inchi IDInChI=1S/C46H59N9O7/c1-29(2)23-33-28-50-36(18-20-41(57)51-26-31-13-7-4-8-14-31)44(60)53-37(17-19-40(47)56)45(61)55-39(25-32-27-49-35-16-10-9-15-34(32)35)46(62)54-38(24-30-11-5-3-6-12-30)43(59)48-22-21-42(58)52-33/h3-16,27,29,33,36-39,49-50H,17-26,28H2,1-2H3,(H2,47,56)(H,48,59)(H,51,57)(H,52,58)(H,53,60)(H,54,62)(H,55,61)/t33-,36+,37-,38-,39+/m1/s1
PubChem CID44346720
ChEMBLCHEMBL334186
IUPHARN/A
BindingDB50407246
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
294873Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
294874Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384

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