Details of the Drug

General Information of Drug (ID: DMTZBXQ)

Drug Name

GSK-159797

Synonyms

Milveterol hydrochloride; UNII-1D1MD355SJ; 1D1MD355SJ; 804518-03-4; Milveterol hydrochloride [USAN]; Milveterol hydrochloride (USAN); GSK159797C; Milveterol HCl; SCHEMBL2014099; CHEMBL2107356; DTXSID50230335; QQPHRRSYJMOQOC-DKIIUIKKSA-N; D08945; N-{2-[4-((R)-2-hydroxy-2-phenylethylamino)phenyl]ethyl}-(R)-2-hydroxy-2-(3-formamido-4-hydroxyphenyl)ethylamine; 2-5A-anti-hTR

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

472

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

11

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C25H30ClN3O4
IUPAC Name: N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]phenyl]ethylamino]ethyl]phenyl]formamide;hydrochloride
Canonical SMILES: C1=CC=C(C=C1)[C@H](CNC2=CC=C(C=C2)CCNC[C@@H](C3=CC(=C(C=C3)O)NC=O)O)O.Cl
InChI: InChI=1S/C25H29N3O4.ClH/c29-17-28-22-14-20(8-11-23(22)30)24(31)15-26-13-12-18-6-9-21(10-7-18)27-16-25(32)19-4-2-1-3-5-19;/h1-11,14,17,24-27,30-32H,12-13,15-16H2,(H,28,29);1H/t24-,25-;/m0./s1
InChIKey: QQPHRRSYJMOQOC-DKIIUIKKSA-N

Cross-matching ID

PubChem CID: 11225217
CAS Number: 804518-03-4
UNII: LGY1VQ9622
DrugBank ID: DB05043
TTD ID: D0N8MQ

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	[1]
Telomerase messenger RNA (Telomerase mRNA)	TTDW3Z2	NOUNIPROTAC	Not Available	[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

ICD Disease Classification

12 Disease of the respiratory system

Disease Class

ICD-11: CA23 Asthma

The Studied Tissue

Lung tissue

The Studied Disease

Chronic obstructive pulmonary disease [ICD-11: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	Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.
2	Combination therapy of 2-5A antisense against telomerase RNA and cisplatin for malignant gliomas. Int J Oncol. 2001 Jun;18(6):1287-92.