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Ligand

NameCHEMBL1084008
Molecular formulaC26H30N2O2
IUPAC name[4-(1H-indol-3-yl)-3-methoxyphenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
Molecular weight402.538
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50319799
(4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Inchi KeyBRYITMVYUBPGDS-WXTAPIANSA-N
Inchi IDInChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
PubChem CID46890709
ChEMBLCHEMBL1084008
IUPHARN/A
BindingDB50319799
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31469Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
31470Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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