Details of the Drug-Related molecule(s) Interaction Atlas

HSDB-674 Drug Info

Alcool butylique secondaire; Butan-2-ol; Butanol secondaire; Butanol secondaire [French]; Butanol-2; Butyl alcohol, sec-; Butylene hydrate; Ethyl methyl carbinol; Ethylmethyl carbinol; Methyl ethyl carbinol; Methylethyl carbinol; Methylethylcarbinol; R-(-)-2-Butanol; SEC-BUTYL ALCOHOL; n-Butan-2-ol; s-Butanol; s-Butyl alcohol; sec-Butanol; sec-C4H9OH; 1-Methyl propanol; 1-Methyl-1-propanol; 1-Methylpropyl alcohol; 2-Butanol; 2-Butanol (natural); 2-Butyl alcohol; 2-Hydroxybutane; 78-92-2; CCS 301; Caswell No. 119C; NSC 25499

Cross-matching ID

PubChem CID

6568

ChEBI ID

CHEMBL35687

CAS Number

CAS 78-92-2

TTD Drug ID

DMJG4WR

INTEDE Drug ID

DR2328

General Information of Drug (ID: DMJG4WR)

Molecule-Related Drug Atlas

Molecule Type:

DME

Drug Status:

Approved Drug(s)

Discontinued Drug(s)

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Drug(s) Metabolized By Oxygen-insensitive NADPH nitroreductase A (nfsA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nitrofurazone	DMSM2KE	Skin burns	ME65.0	Approved	[2]
Nitrazepam	DMEGIQ6	Epilepsy	8A60-8A68	Approved	[2]
Loperamide	DMOJZQ9	Diarrhea	ME05.1	Approved	[3]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[4]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Oxygen-insensitive NADPH nitroreductase A (nfsA)^{Main DME}	DEDPI65	NFSA_ECOLI	Substrate	[1]

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References

1	Absorption of (-)-nicotine-l-N-oxide in man and its reduction in the gastrointestinal tract. J Pharm Pharmacol. 1970 Sep;22(9):722-3.
2	Biochemical characterization of NfsA, the Escherichia coli major nitroreductase exhibiting a high amino acid sequence homology to Frp, a Vibrio harveyi flavin oxidoreductase. J Bacteriol. 1996 Aug;178(15):4508-14.
3	Reduction of the prodrug loperamide oxide to its active drug loperamide in the gut of rats, dogs, and humans. Drug Metab Dispos. 1995 Mar;23(3):354-62.
4	Discovery and evaluation of Escherichia coli nitroreductases that activate the anti-cancer prodrug CB1954. Biochem Pharmacol. 2010 Mar 1;79(5):678-87.