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Ligand

NameMLS000859925
Molecular formulaC34H41N5O8S
IUPAC name(6aR,9R)-N-[(1S,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Molecular weight679.789
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogPNone
SynonymsCHEMBL1705108
SMR000326786
HMS2232B08
Inchi KeyADYPXRFPBQGGAH-PCAWATMZSA-N
Inchi IDInChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23?,25-,26+,27+,32?,33?;/m1./s1
PubChem CID16219228
ChEMBLCHEMBL1705108
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32275-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
3228Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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