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Compound Detail

CHEMBL63331

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Cc1nc(C)c(CO)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63331
Phase Preclinical
Structure Type MOL
InChI Key LAXOCXPBJXIBHO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
0.89
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O
MW 152.20
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
23043765 10.1016/j.ejmech.2012.09.016 NON-PROTEIN TARGET 2
12798318 10.1016/s0960-894x(03)00359-7 HUVEC 1
23043765 10.1016/j.ejmech.2012.09.016 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine