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
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

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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.