Details of the Drug

General Information of Drug (ID: DMIKLRN)

Drug Name

ALPRENOXIME HYDROCHLORIDE

Synonyms

CDDD-1815; HGP-5; Alprenoxime hydrochloride; 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanone oxime monohydrochloride; 1-[(1-Methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-2-propanone oxime monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

298.81

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C15H23ClN2O2
IUPAC Name: N-[1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ylidene]hydroxylamine;hydrochloride
Canonical SMILES: CC(C)NCC(=NO)COC1=CC=CC=C1CC=C.Cl
InChI: InChI=1S/C15H22N2O2.ClH/c1-4-7-13-8-5-6-9-15(13)19-11-14(17-18)10-16-12(2)3;/h4-6,8-9,12,16,18H,1,7,10-11H2,2-3H3;1H
InChIKey: ZFLRDGZJSCQDSR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 60729
CAS Number: 121009-30-1
TTD ID: D0D5DE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Glaucoma/ocular hypertension

ICD Disease Classification

9C61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003470)
2	Improved delivery through biological membranes. LVI. Pharmacological evaluation of alprenoxime--a new potential antiglaucoma agent. Pharm Res. 1991 Nov;8(11):1389-95.