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Compound Detail

CHEMBL68833

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O=C1CN=C(Nc2ccc(-n3ccnc3)cc2)N1

Basic Information

ChEMBL ID CHEMBL68833
Phase Preclinical
Structure Type MOL
InChI Key WHPHEZFXZWAIBT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
0.77
ALogP
5
HBA
2
HBD
71.3
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 C12H11N5O
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.61

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2846839 10.1021/jm00119a014 Phosphodiesterase 3 1
2846839 10.1021/jm00119a014 Homo sapiens 1
2846839 10.1021/jm00119a014 Canis familiaris 1

Data from ChEMBL 36 via Core Engine