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Compound Detail

CHEMBL4634995

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O=c1[nH]cc(C#Cc2ccc3c4cccc5cccc(c6cccc2c63)c54)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4634995
Phase Preclinical
Structure Type MOL
InChI Key NIOCIFQHCWJSGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.51
ALogP
2
HBA
2
HBD
65.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H14N2O2
MW 386.41
Aromatic Rings 6
Heavy Atoms 30
NP-Likeness -0.17

Activity Summary

EC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tick-borne encephalitis virus
CHEMBL4296604
 EC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tick-borne encephalitis virus EC50 = 8.0 nM 8.1 Antiviral activity against TBEV Absettarov infected in porcine PEK cells assesse... 32199731

Literature References

PubMed DOI Target Context # Activities
32199731 10.1016/j.bmcl.2020.127100 Tick-borne encephalitis virus 3
32199731 10.1016/j.bmcl.2020.127100 Unchecked 2

Data from ChEMBL 36 via Core Engine