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Mechanism of action
BLAST against human drug target
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OPNURASIB
Search structure
Status
Phase 3
Molecule Category
Free-form
Datasets:
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Human Metabolites
Search:
Exact
Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
AZUYLZMQTIKGSC-UHFFFAOYSA-N
Smiles
C=CC(=O)N1CC2(CC(n3nc(-c4ccc5c(cnn5C)c4)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1
InChI
InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)
Pharmacology
Targets
EC50(nM)
IC50(nM)
Kd(nM)
Ki(nM)
Inhibition(%)
Enzyme
Hydrolase
-
17-444
-
-
-
EC50(nM)
IC50(nM)
Kd(nM)
Ki(nM)
Inhibition(%)
Homo sapiens
-
17-444
-
-
-
CONTENTS
Structure
Pharmacology