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Compound Detail

CHEMBL1477915

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O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)C(c3ccco3)C2)cc1

Basic Information

ChEMBL ID CHEMBL1477915
Phase Preclinical
Structure Type MOL
InChI Key CZVIDOWCYBCYFZ-DHZHZOJOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
5.21
ALogP
5
HBA
0
HBD
71.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O3
MW 359.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Activity Summary

EC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Troponin, cardiac muscle
CHEMBL2095202
EC50 6.4 6.4 397.0 1
Unchecked
CHEMBL612545
EC50 5.98 5.98 1041.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine