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Compound Detail

CHEMBL3127037

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NC(=O)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127037
Phase Preclinical
Structure Type MOL
InChI Key NQABTHPBDCNIES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
4.47
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15BrN2O2
MW 395.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
24589489 10.1016/j.ejmech.2014.02.014 Unchecked 2

Data from ChEMBL 36 via Core Engine