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Compound Detail

CHEMBL3318360

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OC(Cn1ccnc1)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318360
Phase Preclinical
Structure Type MOL
InChI Key OBLBFDFNHBICDK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.7
MW (Da)
2.27
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.87
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 C11H11ClN2O
MW 222.68
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.43

Activity Summary

IC50 1 meas.

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