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Compound Detail

CHEMBL186130

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CC1NN=C(c2ccccc2)C1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186130
Phase Preclinical
Structure Type MOL
InChI Key QNIRAONBUFOMEN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
1.03
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.58
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 C10H11N3O2
MW 205.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.66

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481979 10.1021/jm040108f Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine