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Compound Detail

CHEMBL4525020

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COC(=O)Nc1ccc2c(c1)/C(=C/c1ccc(Br)cc1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525020
Phase Preclinical
Structure Type MOL
InChI Key LJYMLFHPHBZRMU-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
4.12
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13BrN2O3
MW 373.21
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
30902399 10.1016/j.bmc.2019.03.028 A549 1

Data from ChEMBL 36 via Core Engine