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Compound Detail

CHEMBL430685

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CNc1nccn2c(Br)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430685
Phase Preclinical
Structure Type MOL
InChI Key IYPYESRWCUEMDJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

227.1
MW (Da)
1.53
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7BrN4
MW 227.06
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.26

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1527785 10.1021/jm00096a008 Mus musculus 3
1527785 10.1021/jm00096a008 Phosphodiesterase 4 1
1527785 10.1021/jm00096a008 Rattus norvegicus 1
1527785 10.1021/jm00096a008 Cavia porcellus 1
1527785 10.1021/jm00096a008 Heart phosphodiesterase 1
28750313 10.1016/j.ejmech.2017.07.021 Inhibitor of nuclear factor kappa-B kinase subunit alpha 1
28750313 10.1016/j.ejmech.2017.07.021 Inhibitor of nuclear factor kappa-B kinase subunit beta 1

Data from ChEMBL 36 via Core Engine