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Compound Detail

CHEMBL304303

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N#Cc1ccc(NC(=S)NC(=N)C2(c3c(Cl)cccc3Cl)CC2)cc1

Basic Information

ChEMBL ID CHEMBL304303
Phase Preclinical
Structure Type MOL
InChI Key QXVLKBNQOOUPFT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

389.3
MW (Da)
4.86
ALogP
3
HBA
3
HBD
71.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N4S
MW 389.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.39

Activity Summary

IC50 2 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 5.83 5.83 1480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11527703 10.1016/s0960-894x(01)00410-3 Human immunodeficiency virus 1 1
- 10.1007/s00044-008-9155-7 No relevant target 1
- 10.1007/s00044-008-9155-7 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine