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Compound Detail

CHEMBL407986

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Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL407986
Phase Preclinical
Structure Type MOL
InChI Key WDHJLIWOZVPJAM-HAVVHWLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.21
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N5O
MW 329.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Picornaviridae
CHEMBL613008
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Picornaviridae IC50 = 40.0 nM 7.4 Antiviral activity against Human picornavirus 19112024

Literature References

PubMed DOI Target Context # Activities
13678411 10.1021/jm020583i rhinovirus B14 2
13678411 10.1021/jm020583i Coxsackievirus A21 2
13678411 10.1021/jm020583i Human rhinovirus 1A 1
13678411 10.1021/jm020583i rhinovirus A2 1
13678411 10.1021/jm020583i rhinovirus A16 1
13678411 10.1021/jm020583i Poliovirus 1 1
13678411 10.1021/jm020583i Coxsackievirus B3 1
19112024 10.1016/j.bmc.2008.11.075 Picornaviridae 1

Data from ChEMBL 36 via Core Engine