Compound Detail

CHEMBL1794818

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Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)CC3(C)CC(C)(O)CO3)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)CC3(C)CC(C)(O)CO3)O2)c(=O)[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1794818
Phase	Preclinical
Structure Type	MOL
InChI Key	LGYMGLNIIRRIHH-IQJGNPGWSA-N
Parent Compound	CHEMBL78572
Active Moiety	CHEMBL78572

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

512.7

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C48H80N4O16Si2
MW	1025.35

Activity Summary

EC50 6 meas. best 5.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MT2 CHEMBL614184	EC50	5.0	4.85	10000.0	2
C8166 CHEMBL614533	EC50	5.0	4.85	10000.0	2
JM1 CHEMBL614589	EC50	5.0	4.85	10000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
C8166	EC50	=	10000.0	nM	5.0	Anti-HIV activity against HIV-1 infected C8166 cell lines	-
JM1	EC50	=	10000.0	nM	5.0	Anti-HIV activity against HIV-1 infected JM cell lines	-
MT2	EC50	=	10000.0	nM	5.0	Anti-HIV activity against HIV-2 infected MT2 cell lines	-
C8166	EC50	=	20000.0	nM	4.7	Anti-HIV activity against HIV-1 infected C8166 cell lines	-
JM1	EC50	=	20000.0	nM	4.7	Anti-HIV activity against HIV-1 infected JM cell lines	-
MT2	EC50	=	20000.0	nM	4.7	Anti-HIV activity against HIV-2 infected MT2 cell lines	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(96)00443-X	C8166	4
-	10.1016/0960-894X(96)00443-X	JM1	4
-	10.1016/0960-894X(96)00443-X	MT2	4

Data from ChEMBL 36 via Core Engine