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Compound Detail

CHEMBL3318364

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Oc1ccccc1C(O)Cn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318364
Phase Preclinical
Structure Type MOL
InChI Key LOFVCZOHBCKSSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.32
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O2
MW 204.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 1
25036789 10.1016/j.ejmech.2014.06.078 No relevant target 1

Data from ChEMBL 36 via Core Engine