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Compound Detail

CHEMBL523066

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N#C[C@@H]1CCCN1C(=O)N[C@@H](CN)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523066
Phase Preclinical
Structure Type MOL
InChI Key JSBBPBYPNTXUOQ-STQMWFEESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
1.59
ALogP
3
HBA
2
HBD
82.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24N4O
MW 264.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.24

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18207285 10.1016/j.ejmech.2007.11.014 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine