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Compound Detail

CHEMBL263897

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c1ccc(Cn2c3ccccc3c3cnccc32)cc1

Basic Information

ChEMBL ID CHEMBL263897
Phase Preclinical
Structure Type MOL
InChI Key YBOWTPNVWOLOOL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
4.24
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2
MW 258.32
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.81

Activity Summary

EC50 2 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 5.06 5.06 8700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18289862 10.1016/j.bmc.2008.01.052 ADMET 1
18289862 10.1016/j.bmc.2008.01.052 Bovine viral diarrhea virus 1 1
30103193 10.1016/j.ejmech.2018.08.015 Bovine viral diarrhea virus 1 1

Data from ChEMBL 36 via Core Engine