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Ligand

NameCHEMBL3716844
Molecular formulaC30H27N5O6S2
IUPAC name[4-hydroxy-4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]piperidin-1-yl]-phenylmethanone
Molecular weight617.695
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP4.4
SynonymsUS9688695, 130
BACOJTRRFFVSSS-UHFFFAOYSA-N
(4-Hydroxy-4-(4-(((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)piperidin-1-yl)(phenyl)methanone
BDBM176097
SCHEMBL15357153
Inchi KeyBACOJTRRFFVSSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H27N5O6S2/c1-38-20-12-23(21-14-25(41-24(21)13-20)22-15-35-28(32-22)43-29(33-35)39-2)40-16-19-17-42-27(31-19)30(37)8-10-34(11-9-30)26(36)18-6-4-3-5-7-18/h3-7,12-15,17,37H,8-11,16H2,1-2H3
PubChem CID72192427
ChEMBLCHEMBL3716844
IUPHARN/A
BindingDB176097
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522025Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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