Lopinavir, D-valine diastereomer- (CED0096741)

Record Information

Version

1.0

Creation Date

2026-04-06 09:17:16 UTC

Update Date

2026-05-21 09:58:37 UTC

SynCED ID

CED0096741

Secondary Accession Numbers

CHEM121386

Identification

Common Name

Lopinavir, D-valine diastereomer-

Class

Small Molecule

Description

Lopinavir, D-valine diastereomer- belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Further sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. The compound is also found in lubricants used within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one additional sector. Recorded routes of exposure for Lopinavir, D-valine diastereomer- include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

1623021-24-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34+/m0/s1

InChI Key

KJHKTHWMRKYKJE-UQJYGFKOSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protease	Q9YQ12	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.302 Applicability Domain 0.4 Statistical Significance 0.0041 Supporting Reference Compounds 31 E-value 31.7625
Click to view 3D structure	Plasmepsin II	P46925	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.392 Statistical Significance 0.0047 Supporting Reference Compounds 27 E-value 36.8227
Click to view 3D structure	Plasmepsin III	Q9Y006	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.273 Low confidence Statistical Significance 9.00e-04 Supporting Reference Compounds 1 E-value 7.00643
Click to view 3D structure	Cathepsin D	P07339	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.273 Low confidence Statistical Significance 0.0356 Supporting Reference Compounds 81 E-value 276.832
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.4 Statistical Significance 0.549 Supporting Reference Compounds 1498 E-value 4273.61
Click to view 3D structure	Aspartic protease PM4	O60989	Plasmodium vivax	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.252 Low confidence Statistical Significance 9.30e-04 Supporting Reference Compounds 3 E-value 7.23998
Click to view 3D structure	Pol polyprotein	Q72874	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.4 Statistical Significance 0.0279 Supporting Reference Compounds 54 E-value 217.044
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.4 Statistical Significance 0.6498 Supporting Reference Compounds 1538 E-value 5058.88
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.4 Statistical Significance 0.1392 Supporting Reference Compounds 215 E-value 1083.35
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.4 Statistical Significance 0.2021 Supporting Reference Compounds 139 E-value 1573.57
Click to view 3D structure	Renin	P00797	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.216 Low confidence Statistical Significance 0.0917 Supporting Reference Compounds 59 E-value 713.722
Click to view 3D structure	Proteasome subunit beta type-5	P28074	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.222 Low confidence Statistical Significance 0.1305 Supporting Reference Compounds 72 E-value 1016.32
Click to view 3D structure	Proteasome subunit beta type-8	P28062	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.222 Low confidence Statistical Significance 0.0926 Supporting Reference Compounds 38 E-value 721.117
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.233 Low confidence Statistical Significance 0.67 Supporting Reference Compounds 686 E-value 5215.98
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.216 Low confidence Statistical Significance 0.7077 Supporting Reference Compounds 955 E-value 5509.16
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.216 Low confidence Statistical Significance 0.5623 Supporting Reference Compounds 565 E-value 4377.7
Click to view 3D structure	Proteasome subunit beta type-2	P49721	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.222 Low confidence Statistical Significance 0.1019 Supporting Reference Compounds 32 E-value 793.05
Click to view 3D structure	Proteasome subunit beta type-10	P40306	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.222 Low confidence Statistical Significance 0.0746 Supporting Reference Compounds 20 E-value 580.599
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.216 Low confidence Statistical Significance 0.555 Supporting Reference Compounds 536 E-value 4320.94
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.216 Low confidence Statistical Significance 0.4973 Supporting Reference Compounds 376 E-value 3871.68
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.216 Low confidence Statistical Significance 0.7133 Supporting Reference Compounds 953 E-value 5553.22
Click to view 3D structure	Broad substrate specificity ATP-binding cassette transporter ABCG2	Q9UNQ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.4 Statistical Significance 0.294 Supporting Reference Compounds 126 E-value 2289.16
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.211 Low confidence Statistical Significance 0.3675 Supporting Reference Compounds 229 E-value 2861.04
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2B	Q13224	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.211 Low confidence Statistical Significance 0.1702 Supporting Reference Compounds 54 E-value 1324.92
Click to view 3D structure	Sigma intracellular receptor 2	Q5U3Y7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.211 Low confidence Statistical Significance 0.2549 Supporting Reference Compounds 110 E-value 1984.77