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Compound Detail

CHEMBL337161

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CN(c1nc(Cl)nc2c1ncn2C)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337161
Phase Preclinical
Structure Type MOL
InChI Key KQUYMJOYRRMNNP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.8
MW (Da)
2.79
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.79
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 C13H18ClN5
MW 279.78
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.08

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