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Compound Detail

CHEMBL216900

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C#C[C@@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216900
Phase Preclinical
Structure Type MOL
InChI Key FRGISDJQXAKTDV-RDBSUJKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
1.41
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.76
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 C15H21N3O
MW 259.35
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
17034148 10.1021/jm060777o Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine