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Ligand

NameCHEMBL419174
Molecular formulaC27H26N6O4
IUPAC name3-[(4-nitrophenyl)carbamoylamino]-N-(2-pyridin-2-ylethyl)-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight498.543
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50147034
3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
Inchi KeyASPCKHQVRZRSAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O4/c34-25(29-16-13-18-5-3-4-15-28-18)27(32-26(35)30-19-8-10-20(11-9-19)33(36)37)14-12-24-22(17-27)21-6-1-2-7-23(21)31-24/h1-11,15,31H,12-14,16-17H2,(H,29,34)(H2,30,32,35)
PubChem CID44333720
ChEMBLCHEMBL419174
IUPHARN/A
BindingDB50147034
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
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GLASS IDNameUniProtGeneSpeciesLength
13400Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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