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Compound Detail

CHEMBL258773

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CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258773
Phase Preclinical
Structure Type MOL
InChI Key LTVWWXITZWRJJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.2
MW (Da)
3.75
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.79
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 C15H20BrNO
MW 310.24
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
17545669 10.1074/jbc.m701857200 Sortase A 1
17545669 10.1074/jbc.m701857200 Unchecked 1
17545669 10.1074/jbc.m701857200 Papain 1

Data from ChEMBL 36 via Core Engine