SPARQL
Query
Update
Search
Quick
Advanced
Co-occurrence
RelFinder
About
Sources
Admin
System Info
Repository Management
Search Configuration
Sources
10006
Source:
http://linkedlifedata.com/resource/chembl/compound/10006
Search
Subject
(
38
)
Predicate
Object
All
Download in:
JSON
RDF
N3/Turtle
N-Triples
Named Graph
All
UniProt
NCBIGene
DrugBank
ClinicalTrials
UMLS
PubMed
Mappings
MentionedEntities
Language
All
English
Español
Português
Français
Deutsch
Русский
日本語
Български
Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
chemicalCompound:standardIn...
MBFUSGLXKQWVDW-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Oc1cc2CCNCc2cc1O
chemicalCompound:molecularF...
C9H11NO2
chemicalCompound:moleculeId
10006
chemicalCompound:mwFreebase
165.189
chemicalCompound:alogp
0.958
chemicalCompound:hba
3
chemicalCompound:hbd
3
chemicalCompound:psa
52.48
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
9.147
chemicalCompound:acdLogP
0.441
chemicalCompound:acdLogD
-1.39
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
165.189
chemicalCompound:acdMostBpk...
9.818
chemicalCompound:chemblId
CHEMBL11862
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:110006
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:136688
,
activity:449906
,
activity:475014
,
activity:475015