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Compound Detail

CHEMBL509777

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N#C[C@@H]1CCCN1C(=O)CN1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL509777
Phase Preclinical
Structure Type MOL
InChI Key ZXWZRFNTVNAINR-HNNXBMFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
1.56
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O
MW 269.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.23

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