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Compound Detail

CHEMBL242483

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COc1cccc(F)c1-c1nc2ccn(Cc3ccc(OC(F)(F)F)cc3)cc-2n1

Basic Information

ChEMBL ID CHEMBL242483
Phase Preclinical
Structure Type MOL
InChI Key HXDFYKBNSFVCRE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
5.14
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F4N3O2
MW 417.36
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.19

Activity Summary

EC50 2 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 6.16 6.16 690.0 1
Hepatitis C virus
CHEMBL379
EC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17656093 10.1016/j.bmcl.2007.07.015 ADMET 2
17656093 10.1016/j.bmcl.2007.07.015 Unchecked 2
17656093 10.1016/j.bmcl.2007.07.015 Bovine viral diarrhea virus 1 1
17656093 10.1016/j.bmcl.2007.07.015 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine