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Compound Detail

CHEMBL150916

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CC(=O)OCCNC1CCCc2onc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150916
Phase Preclinical
Structure Type MOL
InChI Key YQMGUDBTCMLBJG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
0.91
ALogP
6
HBA
2
HBD
84.6
PSA (Ų)
0.60
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 C11H16N2O4
MW 240.26
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10639282 10.1021/jm9904452 Mus musculus 2
10639282 10.1021/jm9904452 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine