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Compound Detail

CHEMBL4524919

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O=C1[C@@H]2SS[C@@H](C(=O)N2Cc2cccc3ccccc23)N1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL4524919
Phase Preclinical
Structure Type MOL
InChI Key BLVLOVUNPFQOEW-VXKWHMMOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
4.26
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O2S2
MW 406.53
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.50

Activity Summary

EC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Feline immunodeficiency virus
CHEMBL613744
EC50 5.72 5.72 1900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31395510 10.1016/j.bmc.2019.07.047 Unchecked 2
31395510 10.1016/j.bmc.2019.07.047 Feline immunodeficiency virus 1
31395510 10.1016/j.bmc.2019.07.047 ADMET 1

Data from ChEMBL 36 via Core Engine