Details of the Drug

General Information of Drug (ID: DMH6B9J)

Drug Name

BZ-55

Synonyms

Alentin; Aminophenurobutane; Bucarban; Bucrol; Bukarban; Burcol; Butisulfina; Carbutamid; Carbutamide; Carbutamide [INN:BAN]; Diabetin; Diabetoplex; Diaboral; Diabutan; Emedan; Glucidoral; Glucofren; Glybutamide; Inbuton; Invenol; N'-(Butylcarbamoyl)sulfanilamide; N-Butyl-N'-sulfanilylurea; N-Butylsulfanilylurea; N-Sulfanilyl-N'-butylurea; Nadisan; Nadizan; Norboral; Oranil; Oranyl; Orasulin; Sulfonamide carbutamide; Urea, 1-butyl-3-sulfanilyl-; 1-BUTYL-3-SULFANILYLUREA; 339-43-5; 4-amino-N-[(butylamino)carbonyl]benzenesulfonamide; BZ 55

Indication

Disease Entry	ICD 11	Status	REF
Type-2 diabetes	5A11	Phase 1	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

271.34

Topological Polar Surface Area (xlogp)

1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C11H17N3O3S
IUPAC Name: 1-(4-aminophenyl)sulfonyl-3-butylurea
Canonical SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
InChI: VDTNNGKXZGSZIP-UHFFFAOYSA-N
InChIKey: 1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)

Cross-matching ID

PubChem CID: 9564
ChEBI ID: CHEBI:135118
CAS Number: 339-43-5
INTEDE ID: DR0274

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2C9 (CYP2C9)_{Main DME}	DE5IED8	CP2C9_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02475499) Incretin-based Drugs and Pancreatic Cancer.
2	Clinically and pharmacologically relevant interactions of antidiabetic drugs. Ther Adv Endocrinol Metab. 2016 Apr;7(2):69-83.
3	Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
4	Tamoxifen inhibits cytochrome P450 2C9 activity in breast cancer patients. J Chemother. 2006 Aug;18(4):421-4.
5	Characterization of the oxidative metabolites of 17beta-estradiol and estrone formed by 15 selectively expressed human cytochrome p450 isoforms. Endocrinology. 2003 Aug;144(8):3382-98.
6	Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
7	Drug-drug interactions with imatinib: an observational study. Medicine (Baltimore). 2016 Oct;95(40):e5076.
8	Drug interactions with calcium channel blockers: possible involvement of metabolite-intermediate complexation with CYP3A. Drug Metab Dispos. 2000 Feb;28(2):125-30.
9	New insights into the structural features and functional relevance of human cytochrome P450 2C9. Part I. Curr Drug Metab. 2009 Dec;10(10):1075-126.
10	A potential role for the estrogen-metabolizing cytochrome P450 enzymes in human breast carcinogenesis. Breast Cancer Res Treat. 2003 Dec;82(3):191-7.
11	A mechanistic approach to antiepileptic drug interactions. Ann Pharmacother. 1998 May;32(5):554-63.