DAYBASE - Thor/Merlin DayCGI demo

Hosts: User: Pass: Thor Only
Hosts last scanned:
origin dia
Database:
Password:
Operation(s):
Lookup datatree(s)
Similarity search
Superstructure search
String search

SMARTS search
Query:
Datatype: $SMI $NAM   Other

Enter search string:   Use JavaGrins

Show system data:    SMILES as text:    Big depictions:    Lookup datatypes:    Raw TDTs:    Hide this form:
    NOTE: World Drug Index 1999 Version 4
    NOTE: 
    NOTE: COPYRIGHT [C] 1999 DERWENT INFORMATION LTD.

Opened "/choya/thordb/wdi994.THOR@origin:thor" with permission "r".

NOTE: 1 SMILES found.

Thor Lookup...

viagra in wdi994@origin

SMILES
Derwent external registry name DR9509214
Derwent preferred name SILDENAFIL
Activity keywords PHOSPHODIESTERASE-INHIBITORS; VASODILATORS
Derwent name DR9509214
International non-proprietary name SILDENAFIL
INN/status Prop.
Ave molecular weight 474.583
Conference 210th American Chemical Society National Meeting, Chicago, Illinois, USA, 20 - 24 August 1995.
Fast-Track Ref. No. NCE-95-1151
Presentation Details Lecture, MEDI 229
WDA Reference No. WD-95-024805
Adverse effects EYE-DISEASE: vision-disorder; MISC.: dizziness; MISC.: dyspepsia; MISC.: headache; MISC.: vertigo.; MISC.: rash; MISC.: nasal-congestion; MISC.: flushing
Precautions and warnings Determine underlying causes; abnormal penile anatomy; leukemia.; priapism; sickle-cell-anemia; retinitis-pigmentosa; multiple-myeloma; hemorrhagic-disorder; conditions predisposing to priapism; active peptic ulcer; cardiac-risk
Interactions Amyl-nitrate; cimetidine; erythromycin; ketoconazole; nitrates.; mibefradil; itraconazole; diuretics
Contraindications Hypersensitivity; severe hepatopathy; recent myocardial infarction or cerebrovascular accident; pre-existing cardiac conditions where sexual activity is inadvisable; hypotension; hereditary degenerative retinal disorders.
Mechanism of action PHOSPHODIESTERASE-V-INHIBITOR
Derwent update code 1995.4-1999.4
Substructure keywords BH-LINKED-CC; COND.RING; PHENOL-ETHER; LACTAM; PYRAZOLE; SULFONAMIDE; PYRIMIDINE; PIPERAZINE
2D-coordinates 66 numerical data
Comment ~
CAS number 139755-83-2
Derwent Molform C22 H30 N6 O4 S
Indications and usage PENIS-DISEASE: erectile-dysfunction; PENIS-DISEASE: erection-disorder.
Trade name VIAGRA
Manufacturer PFIZER
Country AU,CH,DE,ES,FI,FR,GB,JP,PH,TW,US,HK,SG,MY
CAS Number 139755-83-2
Name SILDENAFIL
Name UK92480
Name VIAGRA


Similarity Search...

Top 10 similar to CCCc1nn(C)c2c(=O)[nH]c(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4
hits 1 to 9 of 9 in hitlist "hits", database "wdi994@origin:thor:thor"
hit SMILES similar
1 1
2 0.9902
3 0.9488
4 0.9463
5 0.939
6 0.9366
7 0.8176
8 0.7447
9 0.707

Superstructure Search...

Top 10 superstructures of CCCc1nn(C)c2c(=O)[nH]c(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4
hits 1 to 1 of 1 in hitlist "hits", database "wdi994@origin:thor:thor"
hit SMILES similar
1 1

String Search...

$NAM string search for viagra
hits 1 to 1 of 1 in hitlist "hits", database "wdi994@origin:thor:thor"
hit Name SMILES
1 VIAGRA

Daylight Chemical Information Systems Inc.
support@daylight.com