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Ligand

NameCHEMBL504651
Molecular formulaC45H53Cl2N9O4
IUPAC name(2S)-N-benzyl-5-(diaminomethylideneamino)-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-2-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(4-methoxyphenyl)propanoyl]amino]pentanamide
Molecular weight854.878
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP5.9
SynonymsN/A
Inchi KeyBEGKSVGYTWZORR-ZAQUEYBZSA-N
Inchi IDInChI=1S/C45H53Cl2N9O4/c1-29-35(27-55-22-6-7-23-55)34-20-17-32(25-41(34)56(29)28-36-37(46)12-8-13-38(36)47)52-45(59)54-40(24-30-15-18-33(60-2)19-16-30)43(58)53-39(14-9-21-50-44(48)49)42(57)51-26-31-10-4-3-5-11-31/h3-5,8,10-13,15-20,25,39-40H,6-7,9,14,21-24,26-28H2,1-2H3,(H,51,57)(H,53,58)(H4,48,49,50)(H2,52,54,59)/t39-,40-/m0/s1
PubChem CID25022521
ChEMBLCHEMBL504651
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21532Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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