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Ligand

NameCHEMBL3735405
Molecular formulaC42H46Cl2N8O4
IUPAC name(2S)-4-amino-N-[(2R)-1-anilino-1-oxo-3-phenylpropan-2-yl]-2-[[2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-5-yl]carbamoylamino]acetyl]amino]butanamide
Molecular weight797.782
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP5.2
SynonymsBDBM50134200
Inchi KeyAEPYHZVGPHKQKE-PQQNNWGCSA-N
Inchi IDInChI=1S/C42H46Cl2N8O4/c43-34-14-9-15-35(44)33(34)27-52-26-29(25-51-20-7-8-21-51)32-23-31(16-17-38(32)52)48-42(56)46-24-39(53)49-36(18-19-45)40(54)50-37(22-28-10-3-1-4-11-28)41(55)47-30-12-5-2-6-13-30/h1-6,9-17,23,26,36-37H,7-8,18-22,24-25,27,45H2,(H,47,55)(H,49,53)(H,50,54)(H2,46,48,56)/t36-,37+/m0/s1
PubChem CID127035718
ChEMBLCHEMBL3735405
IUPHARN/A
BindingDB50134200
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
521548Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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