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Compound Detail

CHEMBL8862

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CCCCCC/C=C\CCCC(=O)CC(=O)N[C@H]1CCOC1=O

Basic Information

ChEMBL ID CHEMBL8862
Phase Preclinical
Structure Type MOL
InChI Key MGGGOCSKDLGISA-PTZVLDCSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.07
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.26
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 C18H29NO4
MW 323.43
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.90

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 17000.0 nM 4.77 Inhibition of murine splenocyte proliferation 12502363

Literature References

PubMed DOI Target Context # Activities
12502363 10.1021/jm020909n Mus musculus 1

Data from ChEMBL 36 via Core Engine