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Compound Detail

CHEMBL4473319

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O=C(CNc1ccc(Br)cc1)N[C@H]1CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473319
Phase Preclinical
Structure Type MOL
InChI Key OHVRVOZCLRTBHD-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.1
MW (Da)
1.29
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13BrN2O3
MW 313.15
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
30553142 10.1016/j.ejmech.2018.12.014 MGC-803 1
30553142 10.1016/j.ejmech.2018.12.014 MCF7 1
30553142 10.1016/j.ejmech.2018.12.014 DU-145 1
30553142 10.1016/j.ejmech.2018.12.014 PC-3 1

Data from ChEMBL 36 via Core Engine