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Ligand

NameCHEMBL3717348
Molecular formulaC31H29N5O5S2
IUPAC nameazepan-1-yl-[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]phenyl]methanone
Molecular weight615.723
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.1
SynonymsUS9688695, 303
BDBM176270
SCHEMBL16603376
Inchi KeyBMTLDNBAUDMHSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29N5O5S2/c1-38-22-13-25(23-15-27(41-26(23)14-22)24-16-36-30(33-24)43-31(34-36)39-2)40-17-21-18-42-28(32-21)19-7-9-20(10-8-19)29(37)35-11-5-3-4-6-12-35/h7-10,13-16,18H,3-6,11-12,17H2,1-2H3
PubChem CID117981585
ChEMBLCHEMBL3717348
IUPHARN/A
BindingDB176270
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
522391Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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