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Compound Detail

CHEMBL449318

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NCCCC[C@H](N)C(=O)N1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449318
Phase Preclinical
Structure Type MOL
InChI Key LZCBHBRXONHBKI-ZDUSSCGKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
1.42
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23N3O
MW 261.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.39

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 8 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 9 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 4 1
18556199 10.1016/j.bmcl.2008.05.080 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine