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Compound Detail

CHEMBL3818697

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N#C[C@@H]1CC=C[C@H]2CN(NC(=O)OCc3ccccc3)C(=O)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818697
Phase Preclinical
Structure Type MOL
InChI Key USCXPYVSVYQOOJ-SOUVJXGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.00
ALogP
4
HBA
1
HBD
82.4
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 C17H17N3O3
MW 311.34
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
26619267 10.1021/acs.jmedchem.5b01296 Prolyl endopeptidase 1

Data from ChEMBL 36 via Core Engine