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Compound Detail

CHEMBL336556

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CN1CN=C(NCc2ccccc2)c2[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336556
Phase Preclinical
Structure Type MOL
InChI Key WJZVICKMRDRYPS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.35
ALogP
4
HBA
2
HBD
56.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N5
MW 241.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.80

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