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Compound Detail

CHEMBL227510

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O=C1CSC(c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227510
Phase Preclinical
Structure Type MOL
InChI Key XDUQUVICUMADHK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
5.87
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17F2N3OS
MW 445.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.95

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