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Compound Detail

CHEMBL390122

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O=C1CSC(c2c(Cl)cccc2Cl)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390122
Phase Preclinical
Structure Type MOL
InChI Key FNWZBSYDEOGGJU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

470.3
MW (Da)
6.25
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12Cl2F3N3OS
MW 470.30
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17349793 10.1016/j.bmc.2007.02.044 Human immunodeficiency virus 1 2
17349793 10.1016/j.bmc.2007.02.044 Human immunodeficiency virus type 1 reverse transcriptase 2
17349793 10.1016/j.bmc.2007.02.044 MT4 1
17349793 10.1016/j.bmc.2007.02.044 Unchecked 1
17349793 10.1016/j.bmc.2007.02.044 Human immunodeficiency virus 2 1
18947995 10.1016/j.bmcl.2008.10.023 Replicase polyprotein 1ab 1
18947995 10.1016/j.bmcl.2008.10.023 Hepatitis C virus 1
18947995 10.1016/j.bmcl.2008.10.023 Unchecked 1

Data from ChEMBL 36 via Core Engine