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Compound Detail

CHEMBL3127035

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

Basic Information

ChEMBL ID CHEMBL3127035
Phase Preclinical
Structure Type MOL
InChI Key NWTQYYPBUXWHOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.3
MW (Da)
5.16
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16BrNO3
MW 410.27
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.06

Literature References

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

Data from ChEMBL 36 via Core Engine