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Compound Detail

CHEMBL4875769

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CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2cccc(C(=O)O)c2Br)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875769
Phase Preclinical
Structure Type MOL
InChI Key ZVBHZDPQGFCOJI-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

475.3
MW (Da)
1.47
ALogP
7
HBA
2
HBD
110.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23BrN4O4
MW 475.34
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
34399391 10.1016/j.ejmech.2021.113765 Dipeptidyl peptidase 9 1
34399391 10.1016/j.ejmech.2021.113765 Dipeptidyl peptidase 8 1
34399391 10.1016/j.ejmech.2021.113765 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine