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SMILES COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C
InChIKey YEEZWCHGZNKEEK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 575.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6RZ5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 8.64 9.2 9.52 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pKi 9.06 9.06 9.06 ChEMBL
A3 AA3R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
BLT1 LT4R1 Human Leukotriene A pKi 8.29 8.29 8.29 Drug Central
BLT1 LT4R1 Human Leukotriene A pKi 5.15 5.15 5.15 PDSP Ki database
BLT2 LT4R2 Human Leukotriene A pKi 5.0 5.0 5.0 PDSP Ki database
CysLT1 CLTR1 Human Leukotriene A pKi 8.02 8.02 8.02 Drug Central
CysLT1 CLTR1 Human Leukotriene A pKi 9.59 9.59 9.59 PDSP Ki database
CysLT1 CLTR1 Human Leukotriene A pKi 8.9 8.9 8.9 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pKi 6.0 6.0 6.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 8.21 8.21 8.21 Drug Central
CysLT1 CLTR1 Guinea pig Leukotriene A pKi 8.02 8.02 8.02 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CysLT1 CLTR1 Guinea pig Leukotriene A pIC50 7.36 8.47 9.36 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 7.85 8.73 9.59 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.87 5.87 5.87 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
CysLT1 CLTR1 Human Leukotriene A pIC50 8.59 8.65 8.74 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pIC50 8.29 8.29 8.29 Drug Central
CysLT2 CLTR2 Human Leukotriene A pIC50 4.24 4.69 5.13 ChEMBL
CysLT2 CLTR2 Human Leukotriene A pIC50 5.140000000000001 5.14 5.14 Guide to Pharmacology
CysLT2 CLTR2 Human Leukotriene A pA2 6.9 6.9 6.9 Guide to Pharmacology