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Compound Detail

CHEMBL207156

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Cc1ccccc1Sc1c(C(=O)NNCCO)[nH]c2ccc(Cl)cc12

Basic Information

ChEMBL ID CHEMBL207156
Phase Preclinical
Structure Type MOL
InChI Key DSFFQROWJJBIHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
3.51
ALogP
4
HBA
4
HBD
77.2
PSA (Ų)
0.39
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 C18H18ClN3O2S
MW 375.88
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 100.0 nM 7.0 Antiviral activity against HIV1 16722636

Literature References

PubMed DOI Target Context # Activities
16722636 10.1021/jm0512490 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine