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Compound Detail

CHEMBL4869813

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N[C@H](c1nc(-c2ccccc2)no1)[C@@H]1CC(Br)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4869813
Phase Preclinical
Structure Type MOL
InChI Key RCTRYRBPTHCKJJ-WPRPVWTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.1
MW (Da)
2.23
ALogP
6
HBA
1
HBD
86.5
PSA (Ų)
0.94
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 C12H11BrN4O2
MW 323.15
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
34795860 10.1021/acsmedchemlett.1c00354 Plasmodium falciparum 2
34795860 10.1021/acsmedchemlett.1c00354 Leishmania infantum 1
34795860 10.1021/acsmedchemlett.1c00354 Leishmania tropica 1

Data from ChEMBL 36 via Core Engine