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Compound Detail

CHEMBL2037269

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CC(=O)c1ccc2[nH]c(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2037269
Phase Preclinical
Structure Type MOL
InChI Key DYVSUJXUGRXGOK-RUDMXATFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.84
ALogP
4
HBA
1
HBD
88.9
PSA (Ų)
0.45
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 C17H13N3O3
MW 307.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 1700.0 nM 5.77 Antiviral activity against BVDV1 NADL ATCC VR-534 infected in MDBK cells assesse... 22513121

Literature References

PubMed DOI Target Context # Activities
22513121 10.1016/j.ejmech.2012.03.038 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine