Compound Detail

CHEMBL2448398

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

BP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OP(=O)(O)OP(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2448398
Phase	Preclinical
Structure Type	MOL
InChI Key	DAFWUZMDMACZMN-FXBPHYJTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

443.0

MW (Da)

First in Class Prodrug

Molecular Formula	C9H17BN5O9P3
MW	443.00

IC50 2 meas. best 4.84

Kd 2 meas. best 4.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	4.84	4.795	14500.0	2
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	Kd	4.48	4.47	33000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	14500.0	nM	4.84	Inhibition of HIV1 wild type reverse transcriptase p66/p51 expressed in Escheric...	17620380
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	18000.0	nM	4.75	Inhibition of HIV1 reverse transcriptase p66/p51 K65R mutant expressed in Escher...	17620380
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	33000.0	nM	4.48	Binding affinity to HIV1 wild type reverse transcriptase p66/p51 expressed in Es...	17620380
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	35000.0	nM	4.46	Binding affinity to HIV1 recombinant reverse transcriptase p66/p51 K65R mutant e...	17620380

PubMed	DOI	Target Context	# Activities
17620380	10.1128/aac.00145-07	Human immunodeficiency virus type 1 reverse transcriptase	9
17620380	10.1128/aac.00145-07	Unchecked	2

Data from ChEMBL 36 via Core Engine