CYP3A4-IN-1
CYP3A4-IN-1 (compound 5a) is a potent cytochrome P450 3A4 (CYP3A4) inhibitor with an IC50 value of 0.085 µM[1].
Product Specifications
CAS Number
[2771297-34-6]
UNSPSC
12352005
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/cyp3a4-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(NCC1=CN=CC=C1)C(NC2=CC=CC=C2)CSC[C@H](NC(OC(C)(C)C)=O)CC3=CNC4=CC=CC=C34
Molecular Formula
C31H37N5O3S
Molecular Weight
559.72
References & Citations
[1]Samuels ER, et al. An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg Med Chem. 2020 Mar 15;28 (6) :115349.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP3
Curated Selection
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