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Compound Detail

CHEMBL8560

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CCCCCC(C)CCC(=O)CC(=O)N[C@H]1CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8560
Phase Preclinical
Structure Type MOL
InChI Key JBOLYOUZDZUFBX-PYMCNQPYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.37
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27NO4
MW 297.39
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.73

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 5000.0 nM 5.3 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