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Compound Detail

CHEMBL3819233

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N#C[C@@H]1CCCN1C(=O)[C@H]1CC=C[C@@H]2CN(OCc3ccccc3)C(=O)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819233
Phase Preclinical
Structure Type MOL
InChI Key WYYGLZBLYMJZRU-YDZRNGNQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.28
ALogP
4
HBA
0
HBD
73.6
PSA (Ų)
0.77
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 C21H23N3O3
MW 365.43
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.21

Literature References

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

Data from ChEMBL 36 via Core Engine