THIORIDAZINE

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AC02
UNII: N3D6TG58NI

Structure
InChI Key KLBQZWRITKRQQV-UHFFFAOYSA-N
Smile CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
InChI
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N2S2
Molecular Weight 370.59
AlogP 5.89
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST D2-like dopamine receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 9332.3 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 6377.8 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 1772.6 - - -
Enzyme Hydrolase
- 3430-4100 - - 5.295
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- 6890 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 2947 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 5050 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 33-1588 - 869-1301 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1300-1300 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1830 - - 63.5
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 2490 - 996 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 2-106 - 11 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 17-65 - 174 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 2.8-60 - 8-27 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 72 - 8.412 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 18-60 - 1.247-84 -
Membrane receptor
- 2.8-60 - 8-27 -
Other cytosolic protein
- - - - 85-95
Secreted protein
- - 6690 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- - - - 2.4
Transcription factor
- - - - 85-95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1551 - 1538 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 21.5
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 24330 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 6600 - - -
Transporter
- 1300 - 1538 21.5

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9566
ChEMBL CHEMBL479
DrugBank DB00679
DrugCentral 2637
EPA CompTox DTXSID6023656
FDA SRS N3D6TG58NI
Human Metabolome Database HMDB14817
Guide to Pharmacology 100
PharmGKB PA451666
PubChem 5452
SureChEMBL SCHEMBL9566
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