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Compound Detail

CHEMBL3142414

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CSCO[C@@]1(C)CO[C@@](C)(CC(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142414
Phase Preclinical
Structure Type MOL
InChI Key HFDYRWSLZWTVOV-FGKDPHHFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

572.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H44N2O8SSi
MW 572.80

Activity Summary

EC50 2 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C8166
CHEMBL614533
 EC50 4.8 4.8 16000.0 1
JM1
CHEMBL614589
 EC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C8166 EC50 = 16000.0 nM 4.8 Anti-HIV activity against HIV-1 infected C8166 cell lines -
JM1 EC50 = 16000.0 nM 4.8 Anti-HIV activity against HIV-1 infected JM cell lines -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00443-X CCRF-CEM 3
- 10.1016/0960-894X(96)00443-X C8166 2
- 10.1016/0960-894X(96)00443-X JM1 2
- 10.1016/0960-894X(96)00443-X CEM-TK(+) 1
- 10.1016/0960-894X(96)00443-X Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine