COBICISTAT


Trade Names	TYBOST
Synonyms	Cobicistat Cobicistat on silicon dioxide GS-9350 Tybost
Status
Molecule Category	Free-form
ATC	V03AX03
UNII	LW2E03M5PG
EPA CompTox	DTXSID00143269


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	ZCIGNRJZKPOIKD-CQXVEOKZSA-N
Smiles	CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
InChI	InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1

Mechanism of Action	Action	Reference
Cytochrome P450 3A inhibitor	INHIBITOR	DOI DailyMed


Protein: Cytochrome P450 3A Description: Cytochrome P450 3A4 Organism : Homo sapiens P08684 ENSG00000160868










Protein: Cytochrome P450 3A Description: Cytochrome P450 3A5 Organism : Homo sapiens P20815 ENSG00000106258










Protein: Cytochrome P450 3A Description: Cytochrome P450 3A7 Organism : Homo sapiens P24462 ENSG00000160870










Protein: Cytochrome P450 3A Description: Cytochrome P450 3A43 Organism : Homo sapiens Q9HB55 ENSG00000021461

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	9200	-	-	-
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4	-	150	-	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of human CYP3A4-mdiated midazolam 1'-hydroxylase activity	Homo sapiens	150.0 nM

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