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Compound Detail

CHEMBL30358

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O=C1NN=C(c2ccc(-n3ccnc3)cc2)C2CCCCC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL30358
Phase Preclinical
Structure Type MOL
InChI Key FXPSDQOKDIWBGU-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.51
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.92
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 C17H18N4O
MW 294.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.26

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
2822926 10.1021/jm00394a005 Phosphodiesterase 1 6
2822926 10.1021/jm00394a005 cGMP-dependent 3',5'-cyclic phosphodiesterase 6
2822926 10.1021/jm00394a005 Phosphodiesterase 3 3
2822926 10.1021/jm00394a005 Unchecked 2
2864447 10.1021/jm00148a006 Canis familiaris 1
2822926 10.1021/jm00394a005 Canis familiaris 1

Data from ChEMBL 36 via Core Engine