DIBROMOTYROSINE
ID: CHEMBL1232132
Name: DIBROMOTYROSINE
Max Phase:
Unknown
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Molecular Formula: C9H9Br2NO3
Molecular Weight: 338.98
Molecule Type: Small molecule
Synonyms and Trade Names:
DIBROMOTYROSINE
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL1232132
5
Showing 1-1
out of 1 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Thyroid Diseases
|
Abnormality of the thyroid gland
| -1 |
Showing 1-1
out of 1 records
Compounds similar to CHEMBL1232132
Compounds with at least 85% similarity.
1
1 out of 1
Target Summary
Total
21
Enzyme
N/A
Unclassified protein
Epigenetic regulator
Other cytosolic protein
Total
1
Journal:
N/A
The table below displays ChEMBL targets which are predicted to interact with DIBROMOTYROSINE (CHEMBL1232132). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not DIBROMOTYROSINE (CHEMBL1232132) 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
| Target | Target Pref. Name | Confidence 70% | Confidence 80% | Confidence 90% | Activity Threshold |
|---|---|---|---|---|---|
| CHEMBL2902 | Dihydrofolate reductase | inactive | inactive | inactive | 6 |
| CHEMBL2725 | Beta-lactamase | empty | both | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | inactive | inactive | inactive | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | inactive | inactive | inactive | 6 |
Molecular Weight:
338.98
Molecular Weight (Monoisotopic):
336.8949
AlogP:
1.87
#Rotatable Bonds:
3
Polar Surface Area:
83.55
Molecular Species:
ZWITTERION
HBA:
3
HBD:
3
#RO5 Violations:
0
HBA (Lipinski):
4
HBD (Lipinski):
4
#RO5 Violations (Lipinski):
0
CX Acidic pKa:
0.36
CX Basic pKa:
9.44
CX LogP:
0.05
CX LogD:
-0.68
Aromatic Rings:
1
Heavy Atoms:
15
QED Weighted:
0.79
Np Likeness Score:
0.83
UniChem Connectivity Layer Cross References for
CHEMBL1232132
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL1232132 | ||||
| CHEMBL1253341 | ||||
| DB07637 | ||||
| DBY | ||||
| C03224 |
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