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Compound Detail

CHEMBL1243093

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N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)Nc2ccccc2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243093
Phase Preclinical
Structure Type MOL
InChI Key OOPZADVYFLNXCP-QEJZJMRPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
1.03
ALogP
4
HBA
2
HBD
102.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O3
MW 340.38
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
20718420 10.1021/jm1002556 Prolyl endopeptidase FAP 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 8 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 9 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 2 1
20718420 10.1021/jm1002556 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine