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Compound Detail

CHEMBL283403

ENVIROXIME
🧪 Phase II
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🧪 Phase II
CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=N/O)c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283403
Name ENVIROXIME
Phase Phase II
Structure Type MOL
InChI Key IWKXBHQELWQLHF-CAPFRKAQSA-N

Known Names

Enviroxima Enviroxime Enviroxime component of viroxime b LY 122772 LY-122772 LY122772 NSC-346230
45
Targets
96
Activities
2
Assay Types
1
PK Parameters
20
Publications
7
Known Names

Molecular Properties

358.4
MW (Da)
2.43
ALogP
7
HBA
2
HBD
110.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -vir-
USAN Year 1980

Extended Properties

Molecular Formula C17H18N4O3S
MW 358.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.76

Activity Summary

EC50 84 meas. best 7.82
IC50 12 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poliovirus 1
CHEMBL613556
 EC50 7.82 7.27 15.0 2
Enterovirus A71
CHEMBL612436
 EC50 7.7 6.926 20.0 5
rhinovirus A2
CHEMBL612678
 EC50 7.58 6.91 26.0 2
rhinovirus A16
CHEMBL613769
 EC50 7.57 7.08 27.0 5
rhinovirus A41
CHEMBL612476
 EC50 7.57 7.57 27.0 1
rhinovirus A63
CHEMBL612478
 EC50 7.57 6.955 27.0 2
rhinovirus A39
CHEMBL612527
 EC50 7.55 7.55 28.0 1
rhinovirus A29
CHEMBL612403
 EC50 7.54 7.54 29.0 1
enterovirus D68
CHEMBL613204
 EC50 7.5 6.9833 32.0 6
rhinovirus A85
CHEMBL612529
 EC50 7.48 7.48 33.0 1
rhinovirus A9
CHEMBL612473
 EC50 7.42 7.42 38.0 1
Human rhinovirus sp.
CHEMBL612470
 IC50 7.4 7.4 40.0 6
Poliovirus 3
CHEMBL613557
 EC50 7.4 7.4 40.0 1
rhinovirus A1B
CHEMBL613713
 IC50 7.4 7.4 40.0 1
rhinovirus A15
CHEMBL612525
 EC50 7.38 7.38 42.0 1
Phosphatidylinositol 4-kinase beta
CHEMBL3268
 IC50 7.34 7.265 46.0 2
Poliovirus 2
CHEMBL613752
 EC50 7.22 7.22 60.0 1
rhinovirus B86
CHEMBL612480
 EC50 7.05 6.95 89.0 2
Coxsackievirus B6
CHEMBL612778
 EC50 7.0 6.72 100.0 2
rhinovirus A89
CHEMBL613756
 EC50 7.0 7.0 100.0 1
Hepatitis C virus
CHEMBL379
 EC50 7.0 6.85 100.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.96 6.3986 110.0 7
rhinovirus B70
CHEMBL612479
 EC50 6.96 6.96 110.0 1
rhinovirus B14
CHEMBL613759
 EC50 6.96 6.6767 110.0 3
Coxsackievirus B5
CHEMBL613555
 EC50 6.92 6.755 120.0 2
rhinovirus A51
CHEMBL612607
 EC50 6.92 6.92 120.0 1
rhinovirus B14
CHEMBL613759
 IC50 6.85 6.85 140.0 1
Coxsackievirus B2
CHEMBL613202
 EC50 6.82 6.385 150.0 2
rhinovirus B91
CHEMBL6066671
 EC50 6.78 6.78 168.0 1
Enterovirus A71
CHEMBL612436
 IC50 6.72 6.72 190.0 1
Coxsackievirus B4
CHEMBL612320
 EC50 6.72 6.72 191.0 1
rhinovirus B27
CHEMBL6066669
 EC50 6.65 6.65 223.0 1
rhinovirus A45
CHEMBL612464
 EC50 6.6 6.47 250.0 2
rhinovirus A33
CHEMBL6066665
 EC50 6.58 6.58 266.0 1
Unchecked
CHEMBL612545
 EC50 6.57 6.3875 269.0 4
Coxsackievirus B3
CHEMBL613554
 EC50 6.57 6.0175 271.0 8
rhinovirus A98
CHEMBL6066668
 EC50 6.56 6.56 278.0 1
rhinovirus A21
CHEMBL612371
 EC50 6.54 6.475 291.0 2
rhinovirus A73
CHEMBL6066667
 EC50 6.49 6.49 327.0 1
rhinovirus B93
CHEMBL6066672
 EC50 6.38 6.38 422.0 1
rhinovirus A23
CHEMBL6066663
 EC50 6.38 6.38 422.0 1
rhinovirus A68
CHEMBL6066666
 EC50 6.29 6.29 515.0 1
Coxsackievirus B1
CHEMBL612677
 EC50 6.23 6.175 591.0 2
rhinovirus B72
CHEMBL612549
 EC50 6.14 6.14 720.0 1
rhinovirus B37
CHEMBL6066670
 EC50 6.08 6.08 838.0 1
rhinovirus A1B
CHEMBL613713
 EC50 6.06 6.06 865.0 1
H1-HeLa
CHEMBL4296418
 IC50 4.39 4.39 41000.0 1
rhinovirus A31
CHEMBL6066664
 EC50 4.3 4.3 50000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 2483.12 nM Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Poliovirus 1 EC50 = 15.0 nM 7.82 Antiviral activity against Poliovirus 1 Mahoney infected in monkey Vero 76 cells... 33031923
Enterovirus A71 EC50 = 20.0 nM 7.7 Anti-viral activity against EV-71 (H) infected in human RD cells by MTS assay 39018526
rhinovirus A2 EC50 = 26.0 nM 7.58 Antiviral activity against Human rhinovirus 2 infected in african green monkey V... 19237651
rhinovirus A41 EC50 = 27.0 nM 7.57 Antiviral activity against Human rhinovirus 41 infected in african green monkey ... 19237651
rhinovirus A63 EC50 = 27.0 nM 7.57 Antiviral activity against Human rhinovirus 63 infected in african green monkey ... 19237651
rhinovirus A16 EC50 = 27.0 nM 7.57 Antiviral activity against 7 times rupintrivir passaged resistance model of Huma... 38784463
rhinovirus A16 EC50 = 27.0 nM 7.57 Antiviral activity against 7 times N-(4'-(Trifluoromethyl)-2-((3-(trifluoromethy... 38784463
rhinovirus A39 EC50 = 28.0 nM 7.55 Antiviral activity against Human rhinovirus 39 infected in african green monkey ... 19237651
rhinovirus A29 EC50 = 29.0 nM 7.54 Antiviral activity against Human rhinovirus 29 infected in african green monkey ... 19237651
enterovirus D68 EC50 = 32.0 nM 7.5 Antiviral activity against Enterovirus D68 US/KY/14-18953 strain infected in RD ... 33031923
enterovirus D68 EC50 = 32.0 nM 7.5 Antiviral activity against Enterovirus D68 US/KY/14-18953 infected in RD cells a... 33031923
rhinovirus A85 EC50 = 33.0 nM 7.48 Antiviral activity against Human rhinovirus 85 infected in african green monkey ... 19237651
rhinovirus A9 EC50 = 38.0 nM 7.42 Antiviral activity against Human rhinovirus 9 infected in african green monkey V... 19237651
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972
rhinovirus A1B IC50 = 40.0 nM 7.4 In vitro activity against Rhinovirus type 1B by plaque inhibition assay. 2845083
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972
Human rhinovirus sp. IC50 = 40.0 nM 7.4 inhibitory concentration against mutants of human rhinovirus 14 by standard plag... 9154972

Literature References

PubMed DOI Target Context # Activities
39032404 10.1016/j.ejmech.2024.116690 ADMET 30
6247489 10.1021/jm00178a004 HeLa 29
9154972 10.1021/jm960718i Human rhinovirus sp. 17
33031923 10.1016/j.bmcl.2020.127599 Unchecked 6
9341923 10.1021/jm970302k HeLa 5
19237651 10.1128/aac.00934-08 NON-PROTEIN TARGET 5
19237651 10.1128/aac.00934-08 Coxsackievirus B3 5
9154972 10.1021/jm960718i rhinovirus B14 4
39032404 10.1016/j.ejmech.2024.116690 Unchecked 4
39032404 10.1016/j.ejmech.2024.116690 rhinovirus B14 3
38389877 10.1039/d3md00630a rhinovirus B14 3
22305341 10.1016/j.ejmech.2012.01.022 NON-PROTEIN TARGET 3
38389877 10.1039/d3md00630a ADMET 3
38784463 10.1039/d3md00686g rhinovirus A16 3
32619885 10.1016/j.ejmech.2020.112310 Enterovirus A71 2
37120998 10.1016/j.ejmech.2023.115379 enterovirus D68 2
3005577 10.1021/jm00153a018 Enterovirus 2
33031923 10.1016/j.bmcl.2020.127599 Poliovirus 1 2
33031923 10.1016/j.bmcl.2020.127599 RD 2
33539089 10.1021/acs.jmedchem.0c01467 Hepatitis C virus 2

Data from ChEMBL 36 via Core Engine