TAK-243


ID: CHEMBL4297405
Name: TAK-243
Max Phase:
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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Alternative forms of compound CHEMBL4297405
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TAK-243
Showing 1-1 out of 1 records
#MESH IDMESH HeadingEFO IDsEFO TermsMax Phase for IndicationReferences
1.
Neoplasms
neoplasm
1
Showing 1-1 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

TargetTarget Pref. NameConfidence 70%Confidence 80%Confidence 90%Activity Threshold
CHEMBL2902Dihydrofolate reductaseinactiveinactiveinactive6
CHEMBL2725Beta-lactamaseactiveactiveboth6
CHEMBL5062Coagulation factor Xemptyemptyempty6.5
CHEMBL1947Thyroid hormone receptor beta-1emptyemptyboth7
CHEMBL2157850Ubiquitin carboxyl-terminal hydrolase 7emptyemptyactive6
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
Alert SetPriorityAlerts
MLSMR3
Alert ID: 83135096 Alert Name: Hetero_hetero
1
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UniChem Connectivity Layer Cross References for CHEMBL4297405

Columns Legend:

  • S: stereochemical difference.
  • I: isotopic difference.
  • P: protonation differences identified.


ChEMBL
DrugBank
PDBe (Protein Data Bank Europe)
FDA/USP Substance Registration System (SRS)
SureChEMBL
MatchIdentical ComponentSIP
CHEMBL4297405
DB15013
61T
V9GGV0YCDI
SCHEMBL15191794
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