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Compound Detail

CHEMBL31112

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CN1N=C(c2ccc(-n3ccnc3)cc2)CCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31112
Phase Preclinical
Structure Type MOL
InChI Key SLWHZJYHEKCTQX-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
1.83
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.82
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 C14H14N4O
MW 254.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.96

Activity Summary

IC50 3 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