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Compound Detail

CHEMBL555260

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c1ccc(Nc2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555260
Phase Preclinical
Structure Type MOL
InChI Key HUDSSSKDWYXKGP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
2.83
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.75
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 C11H10N2
MW 170.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19128860 10.1016/j.ejmech.2008.12.004 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine