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Compound Detail

CHEMBL219938

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O=C(NCCCCc1ccccc1)c1cc2ccccc2n(O)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL219938
Phase Preclinical
Structure Type MOL
InChI Key YPQLADZLQVQILL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.99
ALogP
4
HBA
2
HBD
71.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O3
MW 336.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
17326615 10.1021/jm061169b Aminopeptidase N 2
17326615 10.1021/jm061169b No relevant target 2
17326615 10.1021/jm061169b Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine