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Compound Detail

CHEMBL4850153

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N#Cc1ccc2c(c1)nc(CN1C(=O)C3(CC3)c3ccc(F)cc31)n2CCCC(F)(F)F

Basic Information

ChEMBL ID CHEMBL4850153
Phase Preclinical
Structure Type MOL
InChI Key ZEDMJSVJGJVKMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
4.97
ALogP
4
HBA
0
HBD
61.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F4N4O
MW 442.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human orthopneumovirus
CHEMBL613127
EC50 6.35 6.35 444.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33729773 10.1021/acs.jmedchem.0c01882 Human orthopneumovirus 1
33729773 10.1021/acs.jmedchem.0c01882 Fusion glycoprotein F0 1
33729773 10.1021/acs.jmedchem.0c01882 HepG2 1

Data from ChEMBL 36 via Core Engine