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Compound Detail

CHEMBL260744

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COC(=O)C1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260744
Phase Preclinical
Structure Type MOL
InChI Key UILZGGHEZCVBMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
1.84
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.31

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.61 6.61 247.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 247.0 nM 6.61 Inhibition of purified human recombinant IDO 18318466

Literature References

PubMed DOI Target Context # Activities
18318466 10.1021/jm7014155 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine