Compound Detail

CHEMBL560403

DEOXYCYTIDINE TRIPHOSPHATE

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Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL560403
Name	DEOXYCYTIDINE TRIPHOSPHATE
Phase	Preclinical
Structure Type	MOL
InChI Key	RGWHQCVHVJXOKC-SHYZEUOFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

467.2

MW (Da)

-1.18

ALogP

HBA

HBD

250.2

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Kd 7 meas. best 5.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	Kd	5.96	5.786	1100.0	5
DNA polymerase subunit gamma-1 CHEMBL2732	Kd	5.96	5.96	1100.0	1
Unchecked CHEMBL612545	Kd	5.6	5.6	2510.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	1100.0	nM	5.96	Binding affinity to HIV1 reverse transcriptase	19596885
DNA polymerase subunit gamma-1	Kd	=	1100.0	nM	5.96	Binding affinity to human DNA polymerase gamma assessed as dissociation constant	37393791
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	1140.0	nM	5.94	Binding affinity to wild type HIV1 LAI reverse transcriptase	17967907
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	1230.0	nM	5.91	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant	17967907
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	2490.0	nM	5.6	Binding affinity to HIV1 LAI reverse transcriptase M184V mutant	17967907
Unchecked	Kd	=	2510.0	nM	5.6	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V/G333D ...	17967907
Human immunodeficiency virus type 1 reverse transcriptase	Kd	=	2990.0	nM	5.52	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant	17967907

PubMed	DOI	Target Context	# Activities
17967907	10.1128/aac.00904-07	Human immunodeficiency virus type 1 reverse transcriptase	8
11738582	10.1016/s0960-894x(01)00685-0	ADMET	3
19596885	10.1128/aac.00392-09	Human immunodeficiency virus type 1 reverse transcriptase	3
21413808	10.1021/jm1013693	Human immunodeficiency virus type 1 reverse transcriptase	3
37393791	10.1016/j.ejmech.2023.115586	DNA polymerase subunit gamma-1	3
17967907	10.1128/aac.00904-07	Unchecked	2
458818	10.1021/jm00192a005	Thymidine kinase, cytosolic	2
458818	10.1021/jm00192a005	Thymidine kinase 2, mitochondrial	1

Data from ChEMBL 36 via Core Engine