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Compound Detail

CHEMBL511760

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CC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511760
Phase Preclinical
Structure Type MOL
InChI Key ZDQWIROUEKDXJI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.77
ALogP
8
HBA
1
HBD
112.1
PSA (Ų)
0.77
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 C17H19N5O4
MW 357.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19341281 10.1021/jm801180p Cytochrome P450 2D6 1
19341281 10.1021/jm801180p Hippocampus 1
19341281 10.1021/jm801180p Unchecked 1

Data from ChEMBL 36 via Core Engine