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Ligand

NameCHEMBL21392
Molecular formulaC25H30N4O4
IUPAC name(E)-6-[3-[[(E)-1-(cyclohexylamino)-2-nitroethenyl]amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
Molecular weight450.539
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP6.6
SynonymsBDBM50075638
(E)-6-[3-((E)-1-Cyclohexylamino-2-nitro-vinylamino)-phenyl]-6-pyridin-3-yl-hex-5-enoic acid
Inchi KeyAYMZVORQEONTPY-DOWPPDCRSA-N
Inchi IDInChI=1S/C25H30N4O4/c30-25(31)14-5-4-13-23(20-9-7-15-26-17-20)19-8-6-12-22(16-19)28-24(18-29(32)33)27-21-10-2-1-3-11-21/h6-9,12-13,15-18,21,27-28H,1-5,10-11,14H2,(H,30,31)/b23-13+,24-18+
PubChem CID44457567
ChEMBLCHEMBL21392
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
442357Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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