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Compound Detail

CHEMBL1088

MESORIDAZINE
💊 Approved Drug
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💊 Approved Drug
CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088
Name MESORIDAZINE
Phase Approved
Structure Type MOL
InChI Key SLVMESMUVMCQIY-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Lidanar Mesoridazina Mesoridazine NC-123 NSC-186066 Thioridazine-2-sulfoxide TPS-23
1
Targets
6
Activities
1
Assay Types
1
PK Parameters
20
Publications
7
Known Names
1
Indications

Molecular Properties

386.6
MW (Da)
4.90
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1970
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral Parenteral

Flags

Black Box Warning Natural Product
USAN Year 1965

Extended Properties

Molecular Formula C21H26N2OS2
MW 386.59
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.60

Indications

Psychotic Disorders

ATC Classification

N05AC03
mesoridazine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS

Activity Summary

IC50 6 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 6.5 6.4567 316.2 6

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.016 - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 320.0 nM 6.5 Inhibition of human ERG channel 19534531
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 320.0 nM 6.5 Inhibition of human ERG channel 19534531
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 316.23 nM 6.5 Inhibition of human ERG 21185626
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 323.59 nM 6.49 Inhibition of human Potassium channel HERG expressed in mammalian cells 12873512
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 323.59 nM 6.49 Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniq... 18448342
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 549.54 nM 6.26 Inhibitory concentration against potassium channel HERG 15911273

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 24
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
6167716 10.1021/jm00135a006 ADMET 9
6167716 10.1021/jm00135a006 No relevant target 3
19256501 10.1021/jm801441s No relevant target 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
24249037 10.1007/s11095-013-1232-z No relevant target 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
19534531 10.1021/jm900002x Voltage-gated inwardly rectifying potassium channel KCNH2 2
20020916 10.1080/15376510701857262 Phospholipidosis 1
21185626 10.1016/j.ejmech.2010.11.042 Voltage-gated inwardly rectifying potassium channel KCNH2 1
576620 10.1021/jm00213a022 No relevant target 1
19256501 10.1021/jm801441s Brain 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
15911273 10.1016/j.bmcl.2005.03.080 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine