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]
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]
Molecular Interaction Atlas (MIA) 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) 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.