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Compound Detail

CHEMBL293538

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O=S(=O)(c1ccccc1)n1ccc(C(O)c2ccc(Cl)cc2Cl)c1

Basic Information

ChEMBL ID CHEMBL293538
Phase Preclinical
Structure Type MOL
InChI Key MEHZGLFMVPOEDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
4.11
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13Cl2NO3S
MW 382.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.00

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 5000.0 nM 5.3 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 Human immunodeficiency virus type 1 reverse transcriptase 1
- 10.1016/S0960-894X(97)00340-5 Unchecked 1

Data from ChEMBL 36 via Core Engine