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Compound Detail

CHEMBL151721

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CN[C@H]1CCCc2onc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL151721
Phase Preclinical
Structure Type MOL
InChI Key UJAXSQRTPSSJPO-YFKPBYRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
0.98
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.66
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 C8H12N2O2
MW 168.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.13

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