Details of the Drug

General Information of Drug (ID: DM2R496)

Drug Name

Indenolol

Synonyms

Indenolol; Indenolol [INN]; Indenolol [BAN:INN]; Indenolol [INN:BAN]; Indenololum; Indenololum [INN-Latin]; Sch 28316 Z; Sch 28316Z; Securpres; 1-(4-Indenyloxy)-3-isopropylamino-2-propanol; 1-(Inden-4(or 7)-yloxy)-3-(isopropylamino)-2-propanol; 106656-86-4; 2-Propanol, 1-(1H-inden-4-yloxy)-3-((1-methylethyl)amino)-; 2-Propanol, 1-(1H-inden-4-yloxy)-3-[(1-methylethyl)amino]-; 4-(2-Hydroxy-3-isopropylaminopropoxy)indene; 60607-68-3; AC1L2H51; AC1Q77JA; ACMC-20macf; C15H27NO2; CHEMBL153585; EINECS 262-323-5; SCHEMBL79021; YB-2

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Phase 4	[1]

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

247.33

Topological Polar Surface Area (xlogp)

2.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H21NO2
IUPAC Name: 1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Canonical SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CC2)O
InChI: MPGBPFMOOXKQRX-UHFFFAOYSA-N
InChIKey: 1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3

Cross-matching ID

PubChem CID: 71955
CAS Number: 60607-68-3
DrugBank ID: DB08952
INTEDE ID: DR0869

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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11	Roles of CYP2A6 and CYP2B6 in nicotine C-oxidation by human liver microsomes. Arch Toxicol. 1999 Mar;73(2):65-70.
12	Structure-activity relationship for human cytochrome P450 substrates and inhibitors. Drug Metab Rev. 2002 Feb-May;34(1-2):69-82.