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Compound Detail

CHEMBL467932

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CC(=O)n1nc(-c2nc(CN)no2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467932
Phase Preclinical
Structure Type MOL
InChI Key UUCRQDSPRYAECE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
1.21
ALogP
7
HBA
1
HBD
99.8
PSA (Ų)
0.74
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 C12H11N5O2
MW 257.25
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
24480469 10.1016/j.bmcl.2014.01.015 Soluble guanylate cyclase alpha1/beta1 complex 2
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