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Compound Detail

CHEMBL1397260

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CCCCC[C@H](O)/C=C/[C@H]1C(=O)C=C[C@@H]1C/C=C\CCCC(=O)O

Basic Information

ChEMBL ID CHEMBL1397260
Phase Preclinical
Structure Type MOL
InChI Key UQOQENZZLBSFKO-POPPZSFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
4.06
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H30O4
MW 334.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.05

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase isozyme L3
CHEMBL6195
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34752952 10.1016/j.ejmech.2021.113970 Ubiquitin carboxyl-terminal hydrolase isozyme L3 1

Data from ChEMBL 36 via Core Engine