Details of the Drug

General Information of Drug (ID: DM1M0Q4)

Drug Name

Procaterol

Synonyms

Meptin; Procaterolo; Procaterolum; Procaterol Monohydrochloride; Procaterolo [DCIT]; Procaterolum [Latin]; Meptin (TN); OPC-2009; Procaterol (INN); Procaterol [INN:BAN]; Procaterolum [INN-Latin]; (R*,S*)-(+-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone; 5-[1-hydroxy-2-(propan-2-ylamino)butyl]quinoline-2,8-diol; 8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone; 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Approved	[1]
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Therapeutic Class

Bronchodilator Agents

Affected Organisms

Humans and other mammals

ATC Code

R03AC16: Procaterol

R03AC: Selective beta-2-adrenoreceptor agonists

R03A: ADRENERGICS, INHALANTS

R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

R: RESPIRATORY SYSTEM

R03CC08: Procaterol

R03CC: Selective beta-2-adrenoreceptor agonists

R03C: ADRENERGICS FOR SYSTEMIC USE

R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

R: RESPIRATORY SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

290.36

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H22N2O3
IUPAC Name: 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
Canonical SMILES: CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
InChI: InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
InChIKey: FKNXQNWAXFXVNW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4916
ChEBI ID: CHEBI:91585
CAS Number: 60443-17-6
UNII: X7I3EMM5K0
DrugBank ID: DB01366
TTD ID: D0Z1WA
VARIDT ID: DR01436

Combinatorial Drugs (CBD)

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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	Agonist	[2]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Organic cation transporter 1 (SLC22A1)	DTT79CX	S22A1_HUMAN	Substrate	[3]

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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-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
Organic cation transporter 1 (SLC22A1)	DTP	SLC22A1	1.48E-01	6.33E-02	3.20E-01
Organic cation transporter 1 (SLC22A1)	DTP	SLC22A1	1.74E-02	1.21E-01	4.40E-01

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3464).
2	Inhalation and incubation with procaterol increases diaphragm muscle contractility in mice. Allergol Int. 2007 Sep;56(3):285-91.
3	Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42.