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Compound Detail

CHEMBL350843

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O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL350843
Phase Preclinical
Structure Type MOL
InChI Key YAEYBUZMILPYLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

255.1
MW (Da)
3.07
ALogP
3
HBA
0
HBD
34.9
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 C11H8Cl2N2O
MW 255.10
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
7252982 10.1021/jm00138a017 Mus musculus 3
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
31279296 10.1016/j.ejmech.2019.06.083 Candida albicans 1
31279296 10.1016/j.ejmech.2019.06.083 Pichia kudriavzevii 1
31279296 10.1016/j.ejmech.2019.06.083 Candida parapsilosis 1

Data from ChEMBL 36 via Core Engine