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Compound Detail

CHEMBL3754754

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CNc1ncnc2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754754
Phase Preclinical
Structure Type MOL
InChI Key WPJLCSIYPRDCSP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.58
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.59
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 C9H8N4O2
MW 204.19
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.56

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00116A Cyclin-dependent kinase 2 2

Data from ChEMBL 36 via Core Engine