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Compound Detail

CHEMBL1594262

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OC(Cn1cncn1)c1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1594262
Phase Preclinical
Structure Type MOL
InChI Key XCWJBJOPHSVLGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.1
MW (Da)
2.32
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.92
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 C10H9Cl2N3O
MW 258.11
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.71

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