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Compound Detail

CHEMBL5202080

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Clc1nss/c1=N\c1cccc(Br)n1

Basic Information

ChEMBL ID CHEMBL5202080
Phase Preclinical
Structure Type MOL
InChI Key FCUSAPGQRBSJDY-XFFZJAGNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.6
MW (Da)
3.25
ALogP
5
HBA
0
HBD
38.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H3BrClN3S2
MW 308.61
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.33

Activity Summary

EC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Feline immunodeficiency virus
CHEMBL613744
EC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35653871 10.1016/j.bmc.2022.116834 Unchecked 3
35653871 10.1016/j.bmc.2022.116834 Feline immunodeficiency virus 1
35653871 10.1016/j.bmc.2022.116834 ADMET 1

Data from ChEMBL 36 via Core Engine