TAK-243
ID: CHEMBL4297405
Name: TAK-243
Max Phase:
Phase 1
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Molecular Formula: C19H20F3N5O5S2
Molecular Weight: 519.53
Molecule Type: Small molecule
Synonyms and Trade Names:
MLN-7243
MLN7243
TAK 243
TAK-243
UAE INHIBITOR MLN7243
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
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corresponding source.
Alternative forms of compound CHEMBL4297405
5
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out of 1 records
| # | MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|---|---|---|---|---|---|
| 1. |
Neoplasms
|
neoplasm
| 1 |
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out of 1 records
Bioactivity Summary
No data available for compound CHEMBL4297405 (TAK-243) (including alternative forms).
Assay Summary
No data available for compound CHEMBL4297405 (TAK-243) (including alternative forms).
Target Summary
No target classification data available for compound CHEMBL4297405 (all may be non-protein targets)
No data available. (Documents related to CHEMBL4297405 (TAK-243))
The table below displays ChEMBL targets which are predicted to interact with TAK-243 (CHEMBL4297405). The target prediction returns four classes: ‘active’ or ‘inactive’ depending on whether or not TAK-243 (CHEMBL4297405) 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 | active | active | both | 6 |
| CHEMBL5062 | Coagulation factor X | empty | empty | empty | 6.5 |
| CHEMBL1947 | Thyroid hormone receptor beta-1 | empty | empty | both | 7 |
| CHEMBL2157850 | Ubiquitin carboxyl-terminal hydrolase 7 | empty | empty | active | 6 |
Molecular Weight:
519.53
Molecular Weight (Monoisotopic):
519.0858
AlogP:
1.75
#Rotatable Bonds:
7
Polar Surface Area:
152.07
Molecular Species:
NEUTRAL
HBA:
10
HBD:
4
#RO5 Violations:
1
HBA (Lipinski):
10
HBD (Lipinski):
5
#RO5 Violations (Lipinski):
1
CX Acidic pKa:
11.39
CX Basic pKa:
1.89
CX LogP:
1.87
CX LogD:
1.87
Aromatic Rings:
3
Heavy Atoms:
34
QED Weighted:
0.34
Np Likeness Score:
-0.84
UniChem Connectivity Layer Cross References for
CHEMBL4297405
Columns Legend:
- S: stereochemical difference.
- I: isotopic difference.
- P: protonation differences identified.
| Match | Identical Component | S | I | P |
|---|---|---|---|---|
| CHEMBL4297405 | ||||
| DB15013 | ||||
| 61T | ||||
| V9GGV0YCDI | ||||
| SCHEMBL15191794 |
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