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Compound Detail

CHEMBL354520

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Cc1nc(O)c(Cl)c(NCCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL354520
Phase Preclinical
Structure Type MOL
InChI Key PHPXBWLYLUEDKY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.7
MW (Da)
2.80
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.89
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 C13H14ClN3O
MW 263.73
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.10

Activity Summary

EC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Felis catus
CHEMBL612670
EC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Felis catus EC50 = 1200.0 nM 5.92 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