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Compound Detail

CHEMBL354138

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Cc1nc(O)c([N+](=O)[O-])c(NCc2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL354138
Phase Preclinical
Structure Type MOL
InChI Key MBMKBBVISODOPB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.2
MW (Da)
1.41
ALogP
7
HBA
2
HBD
114.1
PSA (Ų)
0.63
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 C11H11N5O3
MW 261.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.82

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Felis catus
CHEMBL612670
EC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Felis catus EC50 = 5300.0 nM 5.28 The inotropic activity was assayed in vitro in cat papillary muscle 2832602

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