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Compound Detail

CHEMBL292878

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CC(=O)OC(c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL292878
Phase Preclinical
Structure Type MOL
InChI Key IDXJOYXGIFUSHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.3
MW (Da)
4.68
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2NO4S
MW 424.31
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.01 5.01 9800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 9800.0 nM 5.01 Concentration required to achieve 50% protection of MT-4 cells against the cytop... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00340-5 MT4 1
- 10.1016/S0960-894X(97)00340-5 Human immunodeficiency virus 1 1
- 10.1016/S0960-894X(97)00340-5 Unchecked 1

Data from ChEMBL 36 via Core Engine