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Compound Detail

CHEMBL4162426

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Nc1nc(=O)n([C@@H]2C(F)=C(CO)[C@@H](O)[C@H]2O)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162426
Phase Preclinical
Structure Type MOL
InChI Key ANUBUWXDIAGPTF-PRJMDXOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

336.1
MW (Da)
-0.92
ALogP
7
HBA
4
HBD
121.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11BrFN3O4
MW 336.12
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
29906687 10.1016/j.ejmech.2018.06.003 A549 1
29906687 10.1016/j.ejmech.2018.06.003 HCT-116 1
29906687 10.1016/j.ejmech.2018.06.003 SNU-638 1
29906687 10.1016/j.ejmech.2018.06.003 MDA-MB-231 1
29906687 10.1016/j.ejmech.2018.06.003 SK-HEP1 1
29906687 10.1016/j.ejmech.2018.06.003 PC-3 1

Data from ChEMBL 36 via Core Engine