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Compound Detail

CHEMBL330897

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Cc1nc(N)c2[nH]cnc2n1

Basic Information

ChEMBL ID CHEMBL330897
Phase Preclinical
Structure Type MOL
InChI Key SMADWRYCYBUIKH-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
0.24
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H7N5
MW 149.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.75

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
7562915 10.1021/jm00019a014 Unchecked 2
9046330 10.1021/jm960666x Cyclin-dependent kinase 1 1
7562915 10.1021/jm00019a014 Glyceraldehyde-3-phosphate dehydrogenase 1

Data from ChEMBL 36 via Core Engine