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Compound Detail

CHEMBL3763977

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COc1cc(/C=N/Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763977
Phase Preclinical
Structure Type MOL
InChI Key VAONCAWUTBWLAN-UFWORHAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.3
MW (Da)
4.64
ALogP
8
HBA
2
HBD
109.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13BrN4O4S
MW 449.29
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine