Details of the Drug

General Information of Drug (ID: DM3C8GQ)

Drug Name
PF-489791
Synonyms
UNII-2S27T3DSZ3; PF-489791; PF-00489791; 853003-48-2; 2S27T3DSZ3; PF-489,791; ZUHZNKJIJDAJFD-UHFFFAOYSA-N; UK-489,791; SCHEMBL331279; SCHEMBL8042129; GTPL8377; DB11736; SB16722; 1H-Pyrazolo(4,3-d)pyrimidine-3-carboxamide, 1-(2-ethoxyethyl)-5-(ethylmethylamino)-7-((4-methyl-2-pyridinyl)amino)-N-(methylsulfonyl); n-[1-(2-ethoxyethyl)-5-(n-ethyl-n-methylamino)-7-(4-methylpyridin-2-yl-amino)-1h-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Phase 2 [1]
Raynaud disease BD42.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 476.6
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C20H28N8O4S
IUPAC Name
1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[4,3-d]pyrimidine-3-carboxamide
Canonical SMILES
CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC
InChI
InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
InChIKey
ZUHZNKJIJDAJFD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11465695
ChEBI ID
CHEMBL4210847
CAS Number
853003-48-2
UNII
2S27T3DSZ3
DrugBank ID
DB11736
TTD ID
D0M9FQ
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Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Chronic obstructive pulmonary disease
ICD Disease Classification CA22
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 5A (PDE5A) DTT PDE5A 1.60E-01 -0.25 -0.99
Molecular Expression Atlas (MEA) 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 800025495)
2 Highlights of the society for medicinesresearch symposium held december 10th 2009 at the national heart and lung institute, London, UK. Drugs of the Future 2010, 35(4): 349-358.