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Compound Detail

CHEMBL4758843

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COC(=O)c1cc2c([nH]c3ccc(NC(=O)c4ccc(Br)cc4)cc32)c(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758843
Phase Preclinical
Structure Type MOL
InChI Key VKUUOFMUNQVHAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

438.3
MW (Da)
4.83
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrN3O3
MW 438.28
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
26791014 10.1016/j.bmcl.2015.12.095 Leishmania donovani 1
26791014 10.1016/j.bmcl.2015.12.095 No relevant target 1

Data from ChEMBL 36 via Core Engine