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Compound Detail

CHEMBL156083

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CCCCSc1nc(O)cc(Cc2c(Cl)cccc2Cl)n1

Basic Information

ChEMBL ID CHEMBL156083
Phase Preclinical
Structure Type MOL
InChI Key DSOGJOORAVXKBX-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
4.97
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16Cl2N2OS
MW 343.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.55

Activity Summary

EC50 1 meas. best 6.36
IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 6.36 6.36 440.0 1
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10052969 10.1021/jm980260f MT4 3
10052969 10.1021/jm980260f Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine