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Compound Detail

CHEMBL180664

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Fc1ccc(N2CCc3ccccc3C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180664
Phase Preclinical
Structure Type MOL
InChI Key RTLGDLOKGBZEJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
3.53
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
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 C15H13F2N
MW 245.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.64

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