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Ligand

NameCHEMBL303274
Molecular formulaC47H69Cl2N3O13
IUPAC name[(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-[cyclopropylmethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-15-[2-(3,4-dichlorophenyl)ethyl]-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl] (4S)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
Molecular weight954.977
Hydrogen bond acceptor14
Hydrogen bond donor1
XlogP7.7
SynonymsA-198401
BDBM50423641
Inchi KeyPJFKNTBUDOJUIM-KCRUJQDRSA-N
Inchi IDInChI=1S/C47H69Cl2N3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-32(48)33(49)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42+,46+,47-/m1/s1
PubChem CID9854500
ChEMBLCHEMBL303274
IUPHARN/A
BindingDB50423641
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
261108Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
261109Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
495284Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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