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Ligand

NameCHEMBL313004
Molecular formulaC44H58N4O
IUPAC name1-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-9-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Molecular weight658.975
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP9.7
Synonyms2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-1-(dodecahydro-carbazol-9-yl)-2-methyl-propan-1-one
2-(3,5-Dimethylphenyl)-3-[(S)-1-methyl-2-[4-(4-pyridinyl)butylamino]ethyl]-5-[1,1-dimethyl-2-oxo-2-(dodecahydro-9H-carbazole-9-yl)ethyl]-1H-indole
BDBM50104563
Inchi KeyBKSRWLOPOUNWJY-AMMNUJJISA-N
Inchi IDInChI=1S/C44H58N4O/c1-29-24-30(2)26-33(25-29)42-41(31(3)28-46-21-11-10-12-32-19-22-45-23-20-32)37-27-34(17-18-38(37)47-42)44(4,5)43(49)48-39-15-8-6-13-35(39)36-14-7-9-16-40(36)48/h17-20,22-27,31,35-36,39-40,46-47H,6-16,21,28H2,1-5H3/t31-,35?,36?,39?,40?/m1/s1
PubChem CID44321458
ChEMBLCHEMBL313004
IUPHARN/A
BindingDB50104563
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
26130Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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