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Compound Detail

CHEMBL1530689

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CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1530689
Phase Preclinical
Structure Type MOL
InChI Key MPNKZGWKGINBSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.3
MW (Da)
1.78
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16BrN3O3S
MW 398.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.46

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5305021 Aminopeptidase 1

Data from ChEMBL 36 via Core Engine