Details of the Drug

General Information of Drug (ID: DMA47C6)

Drug Name

Rimiterol

Synonyms

Rimiterol Hydrobromide; EINECS 250-834-6; WG-253; 31842-61-2; R 798; (R*,S*)-4-(Hydroxypiperidin-2-ylmethyl)pyrocatechol hydrobromide; erythro-alpha-(3,4-Dihydroxyphenyl)-2-piperidinemethanol hydrobromide; 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol hydrobromide; 2-Piperidinemethanol, alpha-(3,4-dihydroxyphenyl)-, (R*,S*)-, hydrobromide; API0025612; UNII-I29DRR8S3R component QPYZEEKXUYXZBK-PKKHVXKMSA-N; 1,2-Benzenediol, 4-(hydroxy-2-piperidinylmethyl)-, hydrobromide, (R*,S*)- (9CI)

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

223.27

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H17NO3
IUPAC Name: 4-[(S)-hydroxy-[(2R)-piperidin-2-yl]methyl]benzene-1,2-diol
Canonical SMILES: C1CCN[C@H](C1)[C@H](C2=CC(=C(C=C2)O)O)O
InChI: InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m1/s1
InChIKey: IYMMESGOJVNCKV-SKDRFNHKSA-N

Cross-matching ID

PubChem CID: 36283
CAS Number: 32953-89-2
DrugBank ID: DB13559
TTD ID: D03NOS

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

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Molecular Expression Atlas of This Drug

The Studied Disease

Asthma

ICD Disease Classification

CA23

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	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Comparison of the beta2-adrenoceptor selectivity of rimiterol, salbutamol and isoprenaline by the intravenous route in man. Br J Clin Pharmacol. 1975 Feb;2(1):41-8.