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Ligand

NameCHEMBL3577302
Molecular formulaC29H28N4O4
IUPAC name(3S)-3-(3-aminopropyl)-1-[2-(4-hydroxyphenyl)ethyl]-5-naphthalen-2-yl-2-oxo-3,6-dihydropyrrolo[3,2-e][1,4]diazepine-7-carboxylic acid
Molecular weight496.567
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.0
SynonymsBDBM50089669
Inchi KeyIIDDMSBKPMOGIT-QHCPKHFHSA-N
Inchi IDInChI=1S/C29H28N4O4/c30-14-3-6-23-28(35)33(15-13-18-7-11-22(34)12-8-18)25-17-24(29(36)37)32-27(25)26(31-23)21-10-9-19-4-1-2-5-20(19)16-21/h1-2,4-5,7-12,16-17,23,32,34H,3,6,13-15,30H2,(H,36,37)/t23-/m0/s1
PubChem CID122177626
ChEMBLCHEMBL3577302
IUPHARN/A
BindingDB50089669
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
479382Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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