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Compound Detail

CHEMBL179996

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O=C([C@@H]1CCCN1)N1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179996
Phase Preclinical
Structure Type MOL
InChI Key XVQFBLXWWPWKBC-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
1.32
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O
MW 230.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 4 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 8 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine