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Ligand

NameCHEMBL2031090
Molecular formulaC27H29N3O5S
IUPAC nameN-[(3-benzamidophenyl)carbamothioyl]-3,4,5-triethoxybenzamide
Molecular weight507.605
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.4
SynonymsSCHEMBL12129904
Inchi KeyBFNOESVEKMASAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N3O5S/c1-4-33-22-15-19(16-23(34-5-2)24(22)35-6-3)26(32)30-27(36)29-21-14-10-13-20(17-21)28-25(31)18-11-8-7-9-12-18/h7-17H,4-6H2,1-3H3,(H,28,31)(H2,29,30,32,36)
PubChem CID44464119
ChEMBLCHEMBL2031090
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22473Smoothened homologQ99835SMOHomo sapiens (Human)787

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