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Compound Detail

CHEMBL130306

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Nc1[nH]c(NCCO)nc2ncnc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130306
Phase Preclinical
Structure Type MOL
InChI Key ROBBNTPGIGIHSO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
-0.71
ALogP
6
HBA
4
HBD
112.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N6O
MW 194.20
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -1.00

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