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Compound Detail

CHEMBL2107135

TESIMIDE
🧪 Phase II
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🧪 Phase II
O=C1NC(=O)/C(=C\c2ccccc2)C2=C1CCCC2

Basic Information

ChEMBL ID CHEMBL2107135
Name TESIMIDE
Phase Phase II
Structure Type MOL
InChI Key JFTOCKFCHJCDDX-UVTDQMKNSA-N

Known Names

NSC-356718 Tesimida Tesimide
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
3
Known Names

Molecular Properties

253.3
MW (Da)
2.60
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1974

Extended Properties

Molecular Formula C16H15NO2
MW 253.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.12

Activity Summary

EC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
EC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target EC50 = 26000.0 nM 4.58 Induction of ROS generation assessed as generation of H2O2 measured as oxidation... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00149K NON-PROTEIN TARGET 4
- 10.1039/C3MD00149K No relevant target 1

Data from ChEMBL 36 via Core Engine