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Compound Detail

CHEMBL376385

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Cc1cc(C(F)(F)F)nc(N2C(=O)CSC2c2c(F)cccc2F)n1

Basic Information

ChEMBL ID CHEMBL376385
Phase Preclinical
Structure Type MOL
InChI Key VIFULZIJWNLPMR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

375.3
MW (Da)
3.86
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.75
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 C15H10F5N3OS
MW 375.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.42

Activity Summary

EC50 3 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.36 5.33 4400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17349793 10.1016/j.bmc.2007.02.044 Human immunodeficiency virus 1 3
17349793 10.1016/j.bmc.2007.02.044 Unchecked 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 CCRF-CEM 1
17349793 10.1016/j.bmc.2007.02.044 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine