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Compound Detail

CHEMBL472097

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C#CC(CC)(CC)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472097
Phase Preclinical
Structure Type MOL
InChI Key KLJJXTAVXFPWKR-RYUDHWBXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
1.23
ALogP
3
HBA
1
HBD
56.1
PSA (Ų)
0.76
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 C14H20FN3O
MW 265.33
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
18243000 10.1016/j.bmc.2008.01.016 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine