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Compound Detail

CHEMBL3819297

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N#C[C@@H]1CCCN1C(=O)[C@H]1CC=C[C@@H]2CN(NC(=O)Cc3ccccc3)C(=O)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819297
Phase Preclinical
Structure Type MOL
InChI Key ZMHQINXPKRWELT-DOADOZAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
1.43
ALogP
4
HBA
1
HBD
93.5
PSA (Ų)
0.78
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 C22H24N4O3
MW 392.46
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.43

Literature References

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

Data from ChEMBL 36 via Core Engine