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Compound Detail

CHEMBL169024

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Cc1nc(O)c(C#N)c(NCCc2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL169024
Phase Preclinical
Structure Type MOL
InChI Key UPAQCXVGVMKYIG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.41
ALogP
6
HBA
2
HBD
94.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O
MW 255.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.68

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2832602 10.1021/jm00399a023 Felis catus 2
2832602 10.1021/jm00399a023 Canis familiaris 1

Data from ChEMBL 36 via Core Engine