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Compound Detail

CHEMBL3818703

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C[C@@H]1C=C[C@@H]2CN(NC(=O)OCc3ccccc3)C(=O)[C@H]2[C@H]1C(=O)N1CCC[C@H]1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3818703
Phase Preclinical
Structure Type MOL
InChI Key DWPZKCPWYCOOFY-LFZDHENXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
2.24
ALogP
5
HBA
1
HBD
102.7
PSA (Ų)
0.75
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 C23H26N4O4
MW 422.49
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.05

Literature References

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

Data from ChEMBL 36 via Core Engine