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Compound Detail

CHEMBL131896

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CN1CN=C(N)c2[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131896
Phase Preclinical
Structure Type MOL
InChI Key RZYMWLBHAMOGNI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
-0.48
ALogP
4
HBA
2
HBD
70.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H9N5
MW 151.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9046330 10.1021/jm960666x Cyclin-dependent kinase 1 1

Data from ChEMBL 36 via Core Engine