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Compound Detail

CHEMBL1512080

METHISAZONE
🧪 Phase II
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🧪 Phase II
CN1C(=O)/C(=N\NC(N)=S)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1512080
Name METHISAZONE
Phase Phase II
Structure Type MOL
InChI Key DLGSOJOOYHWROO-WQLSENKSSA-N

Known Names

BW 33-T-57 BW-33-T-57 Methisazone Metisazona Metisazone NSC-69811 NSC-70969
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names
1
Indications

Molecular Properties

234.3
MW (Da)
0.20
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1964

Extended Properties

Molecular Formula C10H10N4OS
MW 234.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.66

Indications

Virus Diseases

ATC Classification

J05AA01
metisazone
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE

Activity Summary

EC50 4 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vaccinia virus
CHEMBL613493
 EC50 5.48 5.165 3300.0 2
HFF
CHEMBL614071
 EC50 5.48 5.165 3300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HFF EC50 = 3300.0 nM 5.48 Effective concentration required to inhibit vaccinia virus plaque formation in h... 15828843
Vaccinia virus EC50 = 3300.0 nM 5.48 Antiviral activity against Vaccinia virus Copenhagen infected in human HFF cells... 36961984
HFF EC50 = 14000.0 nM 4.85 Effective concentration required to inhibit cowpox virus plaque formation in hum... 15828843
Vaccinia virus EC50 = 14000.0 nM 4.85 Antiviral activity against Cowpox virus Brighton infected in human HFF cells ass... 36961984

Literature References

PubMed DOI Target Context # Activities
15828843 10.1021/jm049147h HFF 6
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
36961984 10.1021/acs.jmedchem.3c00069 Vaccinia virus 2
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 1
37468498 10.1038/s41467-023-40064-9 Prothrombin 1
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine