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Compound Detail

CHEMBL2385288

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N#C[C@@H]1CCCN1C(=O)COc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385288
Phase Preclinical
Structure Type MOL
InChI Key CODCBQWQVMLWTN-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.73
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O2
MW 280.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
24900696 10.1021/ml300410d Prolyl endopeptidase 1
24900696 10.1021/ml300410d Dipeptidyl peptidase 2 1
24900696 10.1021/ml300410d Unchecked 1
24900696 10.1021/ml300410d Dipeptidyl peptidase 4 1
24900696 10.1021/ml300410d Prolyl endopeptidase FAP 1

Data from ChEMBL 36 via Core Engine