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Compound Detail

CHEMBL5549996

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O=C(NC1CCN(c2ccccc2)C1=O)C(=O)c1c[nH]c2ccc(Br)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5549996
Phase Preclinical
Structure Type MOL
InChI Key SUNUXRUMKRPPRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.3
MW (Da)
3.03
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16BrN3O3
MW 426.27
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
38919032 10.1021/acs.jmedchem.4c00242 MHCC97H 1
38919032 10.1021/acs.jmedchem.4c00242 HCCLM3 1

Data from ChEMBL 36 via Core Engine