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Ligand

NameCHEMBL236015
Molecular formulaC27H36Cl2FN5O2
IUPAC name3-amino-N-[(2R)-1-[4-[2-[(1R)-1-amino-3-methylbutyl]-6-fluorophenyl]piperazin-1-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]propanamide
Molecular weight552.516
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.6
Synonyms1-{4-[(1R)-2-(amino-3-methylbutyl)-6-fluorophenyl]-4-[(2R)-(3-aminopropionylamido)-3-(2,4-dichlorophenyl)propionyl]}-piperazine
BDBM50214703
Inchi KeyAEZCRBIFPKXUGD-DNQXCXABSA-N
Inchi IDInChI=1S/C27H36Cl2FN5O2/c1-17(2)14-23(32)20-4-3-5-22(30)26(20)34-10-12-35(13-11-34)27(37)24(33-25(36)8-9-31)15-18-6-7-19(28)16-21(18)29/h3-7,16-17,23-24H,8-15,31-32H2,1-2H3,(H,33,36)/t23-,24-/m1/s1
PubChem CID44434563
ChEMBLCHEMBL236015
IUPHARN/A
BindingDB50214703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3968Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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