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Ligand

NameCHEMBL2031295
Molecular formulaC24H23ClN4O5
IUPAC nameN-[N'-[4-chloro-3-(phenylcarbamoyl)phenyl]carbamimidoyl]-3,4,5-trimethoxybenzamide
Molecular weight482.921
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50383042
SCHEMBL8221176
Inchi KeyBZLYWEGZFZTCMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN4O5/c1-32-19-11-14(12-20(33-2)21(19)34-3)22(30)29-24(26)28-16-9-10-18(25)17(13-16)23(31)27-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,31)(H3,26,28,29,30)
PubChem CID136210508
ChEMBLCHEMBL2031295
IUPHARN/A
BindingDB50383042
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
36578Smoothened homologQ99835SMOHomo sapiens (Human)787

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