Details of the Drug

General Information of Drug (ID: DMQZ2JA)

Drug Name

RP-58802B

Synonyms

Imoxiterol; 88578-07-8; Imoxiterolum; Imoxiterol [INN]; Imoxiterolum [Latin]; AC1L23PZ; SCHEMBL249468; CHEMBL2104918; RP 58802B; CS-6651; 2-(3-(1-Benzimidazolyl)-1-methylpropylamino)-1-(4-hydroxy-3-methoxyphenyl)ethanol; RP-58802; HY-101585; L007875; alpha-(((3-(1-Benzimidazolyl)-1-methylpropyl)amino)methyl)vanillyl alcohol

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H25N3O3
IUPAC Name: 4-[2-[4-(benzimidazol-1-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxyphenol
Canonical SMILES: CC(CCN1C=NC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C20H25N3O3/c1-14(9-10-23-13-22-16-5-3-4-6-17(16)23)21-12-19(25)15-7-8-18(24)20(11-15)26-2/h3-8,11,13-14,19,21,24-25H,9-10,12H2,1-2H3
InChIKey: NKKPVWPMPWLEMY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 65665
CAS Number: 88578-07-8
TTD ID: D08HDD

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

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 800001694)
2	RP 58802B, a long-acting beta 2-adrenoceptor agonist: assessment of antiasthma activity in the guinea-pig in vivo. Pulm Pharmacol. 1992 Sep;5(3):203-12.