TRIMETHOBENZAMIDE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Salt
UNII: WDQ5P1SX7Q
Parent Compound: TRIMETHOBENZAMIDE

Structure
InChI Key WIIZEEPFHXAUND-UHFFFAOYSA-N
Smile COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl
InChI
InChI=1S/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29ClN2O5
Molecular Weight 424.93
AlogP 2.58
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 69.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 111

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 1 D010300 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
40.0
General disorders and administration site conditions
12.59
Nervous system disorders
8.89
Cardiac disorders
5.93
Respiratory, thoracic and mediastinal disorders
5.93
Psychiatric disorders
5.19
Skin and subcutaneous tissue disorders
4.44
Vascular disorders
4.44
Musculoskeletal and connective tissue disorders
3.7
Gastrointestinal disorders
2.96
Injury, poisoning and procedural complications
2.22

Cross References

Resources Reference
ChEMBL CHEMBL1200887
EPA CompTox DTXSID7047774
FDA SRS WDQ5P1SX7Q
PubChem 68385
SureChEMBL SCHEMBL41339
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