ISOLEUCINE


ID: CHEMBL1233584
Name: ISOLEUCINE
Max Phase:
Molecular Formula: C6H13NO2
Molecular Weight: 131.18
Molecule Type: Small molecule
Synonyms and Trade Names:
FEMA NO. 4675 ISOLEUCINA ISOLEUCINE L-ISOLEUCINE NSC-46708
Molfile:

Canonical SMILES:
Standard InChI:
Standard InChI Key:
Alternative forms of compound CHEMBL1233584
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Parent:

ISOLEUCINE
Compounds similar to CHEMBL1233584
Compounds with at least 85% similarity.



Similarity: 100.00
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Bioactivity Summary
Inhibition Activity AC50 Ac50 IC50 Binding ... Hit score Ki pKi
Total
20
Inhibition
Activity
AC50
Ac50
IC50
Binding energy
Hit score
Ki
pKi
Assay Summary
F - Func... B - Binding A - ADME
Total
18
F - Functional
B - Binding
A - ADME
Target Summary
N/A Transporter Enzyme Epigenet...
Total
9
N/A
Transporter
Enzyme
Epigenetic regulator
No data available. (Documents related to CHEMBL1233584 (ISOLEUCINE))

The table below displays ChEMBL targets which are predicted to interact with ISOLEUCINE (CHEMBL1233584). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not ISOLEUCINE (CHEMBL1233584) is predicted to interact or not with the target. The value returned can also be 'empty' if the model was not able to predict the compound or 'both' if it could not conclude. The predictions are given at three different confidence levels. More information on the methodology is available at: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0325-4

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseemptyinactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1inactiveinactiveinactive7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7inactiveinactiveinactive6
UniChem Connectivity Layer Cross References for CHEMBL1233584

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