Details of the Drug

General Information of Drug (ID: DMEQDHP)

Drug Name

Meluadrine

Synonyms

Meluadrine tartrate; HSR-81

Indication

Disease Entry	ICD 11	Status	REF
Premature ejaculation	HA03.0Z	Discontinued in Preregistration	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

243.73

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H18ClNO2
IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chlorophenol
Canonical SMILES: CC(C)(C)NC[C@@H](C1=C(C=C(C=C1)O)Cl)O
InChI: InChI=1S/C12H18ClNO2/c1-12(2,3)14-7-11(16)9-5-4-8(15)6-10(9)13/h4-6,11,14-16H,7H2,1-3H3/t11-/m0/s1
InChIKey: LIXBJWRFCNRAPA-NSHDSACASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-2 (ADRB2)	TT2CJVK	ADRB2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Premature ejaculation

ICD Disease Classification

HA03.0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-2 (ADRB2)	DTT	ADRB2	4.88E-01	-0.05	-0.12
Adrenergic receptor beta-2 (ADRB2)	DTT	ADRB2	7.10E-01	0.06	0.09

Molecular Expression Atlas (MEA)

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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 800003111)
2	Effects of meluadrine tartrate and ritodrine hydrochloride on oxytocin-induced uterine contraction, uterine arterial blood flow and maternal cardiovascular function in pregnant goats. Jpn J Pharmacol. 2002 Oct;90(2):107-13.