TOLBUTAMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A10BB03
UNII: 982XCM1FOI

Structure
InChI Key JLRGJRBPOGGCBT-UHFFFAOYSA-N
Smile CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChI
InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O3S
Molecular Weight 270.35
AlogP 1.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 75.27
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sulfonylurea receptor 1, Kir6.2 blocker PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - 70000 88
Secreted protein
- - 6026 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 6-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 55500 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Hepatitis C, Chronic 1 D019698 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

MCS

Salt

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Musculoskeletal and connective tissue disorders
66.67
General disorders and administration site conditions
33.33

Cross References

Resources Reference
CAS NUMBER 64-77-7
ChEBI 27999
ChEMBL CHEMBL782
DrugBank DB01124
DrugCentral 2696
EPA CompTox DTXSID8021359
FDA SRS 982XCM1FOI
Human Metabolome Database HMDB0015256
Guide to Pharmacology 6848
KEGG C07148
PharmGKB PA451718
PubChem 5505
SureChEMBL SCHEMBL15918
ZINC ZINC000001530703
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