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Compound Detail

CHEMBL290582

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Cc1cc2c(cc1C)N(C)S(=O)(=O)C1=CC=CN(C(C)C)C1=N2

Basic Information

ChEMBL ID CHEMBL290582
Phase Preclinical
Structure Type MOL
InChI Key WNBHTRAVSSYUBF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.23
ALogP
4
HBA
0
HBD
53.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O2S
MW 331.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C8166
CHEMBL614533
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C8166 IC50 = 600.0 nM 6.22 Antiviral activity was evaluated by inhibition of HIV-1 replication in CD4+ lymp... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00257-T C8166 3

Data from ChEMBL 36 via Core Engine