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Compound Detail

CHEMBL1243183

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O=C1N[C@H](C(=O)N2CCCC2)C[C@H]1CC(=O)N1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243183
Phase Preclinical
Structure Type MOL
InChI Key ABWHSJNIPGGFMO-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
1.05
ALogP
3
HBA
1
HBD
69.7
PSA (Ų)
0.89
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 C19H23N3O3
MW 341.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.48

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