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Compound Detail

CHEMBL8766

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

Basic Information

ChEMBL ID CHEMBL8766
Phase Preclinical
Structure Type MOL
InChI Key LPHGVVGIAZFOIC-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.06
ALogP
6
HBA
1
HBD
98.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H29NO6
MW 355.43
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.41

Activity Summary

IC50 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 60000.0 nM 4.22 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