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Ligand

NameCHEMBL369944
Molecular formulaC26H36N6O4
IUPAC name(2S)-N-[(2S)-3-[2-(1-adamantyl)-1H-imidazol-5-yl]-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight496.612
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.4
SynonymsBDBM50173824
1-[3-{2-[1-(1-adamantyl)ethyl]-1H-4-imidazolyl}-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
Inchi KeyHLSSOACOJFPTPF-UQOYHGSASA-N
Inchi IDInChI=1S/C26H36N6O4/c27-22(34)20-2-1-5-32(20)24(36)19(31-23(35)18-3-4-21(33)30-18)9-17-13-28-25(29-17)26-10-14-6-15(11-26)8-16(7-14)12-26/h13-16,18-20H,1-12H2,(H2,27,34)(H,28,29)(H,30,33)(H,31,35)/t14?,15?,16?,18-,19-,20-,26?/m0/s1
PubChem CID11598473
ChEMBLCHEMBL369944
IUPHARN/A
BindingDB50173824
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
118195Thyrotropin-releasing hormone receptorQ01717TrhrRattus norvegicus (Rat)412

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