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Ligand

NameCHEMBL3640618
Molecular formulaC27H40N2O3
IUPAC name(3R,5S,11S,13S,17S)-11-[4-(dimethylamino)phenyl]-3,13-dimethyl-17-nitro-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular weight440.628
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL12702238
US8575375, C-8
BDBM104978
Inchi KeyLMFXDBRFRKVFFT-WSNQEUFISA-N
Inchi IDInChI=1S/C27H40N2O3/c1-26(30)14-13-20-18(15-26)7-10-21-23-11-12-24(29(31)32)27(23,2)16-22(25(20)21)17-5-8-19(9-6-17)28(3)4/h5-6,8-9,18,20-25,30H,7,10-16H2,1-4H3/t18-,20?,21?,22+,23?,24-,25?,26+,27-/m0/s1
PubChem CID58227081
ChEMBLCHEMBL3640618
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
486563Gamma-aminobutyric acid type B receptor subunit 1Q9Z0U4Gabbr1Rattus norvegicus (Rat)991

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