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Compound Detail

CHEMBL1977499

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CN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1977499
Phase Preclinical
Structure Type MOL
InChI Key ULIJMUFRLZVTBX-CPNJWEJPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
4.33
ALogP
5
HBA
0
HBD
71.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O3
MW 321.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Troponin, cardiac muscle
CHEMBL2095202
 EC50 5.84 5.84 1438.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Troponin, cardiac muscle EC50 = 1438.0 nM 5.84 PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... -

Data from ChEMBL 36 via Core Engine