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Compound Detail

CHEMBL5422583

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O=[N+]([O-])c1ccc(/C=N/N=c2\[nH]c(-c3ccc(Br)cc3)nc3ccccc23)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422583
Phase Preclinical
Structure Type MOL
InChI Key IBBXCDMOOZDDLA-SRZZPIQSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.2
MW (Da)
4.43
ALogP
6
HBA
1
HBD
109.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12BrN5O3
MW 438.24
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
37859724 10.1039/d3md00243h Leishmania infantum 1
37859724 10.1039/d3md00243h Trypanosoma cruzi 1
37859724 10.1039/d3md00243h No relevant target 1

Data from ChEMBL 36 via Core Engine