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Ligand

NameCHEMBL322616
Molecular formulaC26H31N5O2
IUPAC name3-(carbamoylamino)-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
Molecular weight445.567
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP3.5
SynonymsBDBM50147033
3-Ureido-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
Inchi KeyIRZSOKYFEOAUAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N5O2/c27-24(33)31-26(14-11-21-19(16-26)18-8-2-3-9-20(18)30-21)23(32)29-17-25(12-5-1-6-13-25)22-10-4-7-15-28-22/h2-4,7-10,15,30H,1,5-6,11-14,16-17H2,(H,29,32)(H3,27,31,33)
PubChem CID44333661
ChEMBLCHEMBL322616
IUPHARN/A
BindingDB50147033
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
140513Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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