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Compound Detail

CHEMBL3785283

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CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4c(Br)c(Br)c(Br)n4[C@@H]3C[C@]21O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3785283
Phase Preclinical
Structure Type MOL
InChI Key USSKVIDRNBDZKO-BZQHOBGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.0
MW (Da)
1.54
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11Br3N4O3
MW 498.96
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.72

Literature References

PubMed DOI Target Context # Activities
26951751 10.1016/j.bmcl.2016.02.051 NON-PROTEIN TARGET 1
26951751 10.1016/j.bmcl.2016.02.051 HeLa 1

Data from ChEMBL 36 via Core Engine