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Compound Detail

CHEMBL3317803

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COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cccc(C)c4[nH]3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3317803
Phase Preclinical
Structure Type MOL
InChI Key KQAGLGIEYWCRFU-ZVHZXABRSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
4.31
ALogP
4
HBA
2
HBD
79.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O2
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.42

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25069019 10.1016/j.ejmech.2014.07.078 No relevant target 4
25069019 10.1016/j.ejmech.2014.07.078 Leishmania major 1
25069019 10.1016/j.ejmech.2014.07.078 ADMET 1

Data from ChEMBL 36 via Core Engine