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Compound Detail

CHEMBL149415

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CN(C)C1CCCc2onc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149415
Phase Preclinical
Structure Type MOL
InChI Key DEDMHCXHXIABGO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
1.32
ALogP
4
HBA
1
HBD
49.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H14N2O2
MW 182.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.37

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