Compound Detail

CHEMBL222280

BROXURIDINE

🧪 Phase II

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🧪 Phase II

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL222280
Name	BROXURIDINE
Phase	Phase II
Structure Type	MOL
InChI Key	WOVKYSAHUYNSMH-RRKCRQDMSA-N

Known Names

Broxuridina Broxuridine NSC-38297

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

307.1

MW (Da)

-1.06

ALogP

HBA

HBD

104.5

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-uridine

Extended Properties

Molecular Formula	C9H11BrN2O5
MW	307.10
Aromatic Rings	1
Heavy Atoms	17
NP-Likeness	0.87

Indications

Leukemia Prostatic Neoplasms, Castration-Resistant

Activity Summary

IC50 6 meas. best 5.42

Ki 6 meas. best 6.7

EC50 1 meas. best 5.69

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	6.7	6.7	200.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.69	5.69	2045.0	1
Unchecked CHEMBL612545	IC50	5.42	5.42	3846.4	1
Thymidylate kinase CHEMBL2361	Ki	5.3	5.3	5000.0	1
Thymidine kinase, cytosolic CHEMBL2883	Ki	5.3	4.95	5060.0	2
L5178Y CHEMBL614720	IC50	4.92	4.695	12000.0	4
ADMET CHEMBL612558	IC50	4.07	4.07	84660.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	200.0	nM	6.7	Competitive inhibition of HSV-1 pyrimidine deoxythymidine kinase using 2-[14C]de...	214555
NON-PROTEIN TARGET	EC50	=	2045.0	nM	5.69	Antiproliferative activity against mouse neural precursor cells by MTT assay	17417631
Unchecked	IC50	=	3846.4	nM	5.42	PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de...	-
Thymidine kinase, cytosolic	Ki	=	5060.0	nM	5.3	Binding affinity against HSV-1(KOS) thymidine kinase	2989522
Thymidylate kinase	Ki	=	5000.0	nM	5.3	Inhibition of Mycobacterium tuberculosis recombinant TMPK	18467107
L5178Y	IC50	=	12000.0	nM	4.92	In vitro growth inhibition of FdUrd resistant L5178Y-Resistant murine leukemia c...	11101356
L5178Y	IC50	=	20000.0	nM	4.7	In vitro growth inhibition of L5178Y-Parental murine leukemia cells by incorpora...	11101356
Thymidine kinase, cytosolic	Ki	=	25000.0	nM	4.6	Binding affinity against HSV-2(333) enzyme thymidine kinase	2989522
L5178Y	IC50	=	26000.0	nM	4.58	In vitro growth inhibition of L5178Y-Parental murine leukemia cells	11101356
L5178Y	IC50	=	26000.0	nM	4.58	In vitro growth inhibition of L5178Y-Parental murine leukemia cells by incorpora...	11101356
ADMET	IC50	=	84660.0	nM	4.07	Cytotoxicity against mouse L1210/0 cells after 48 hrs	17341060

Literature References

PubMed	DOI	Target Context	# Activities
3027341	10.1021/jm00385a026	Oryctolagus cuniculus	9
11101356	10.1021/jm000975u	L5178Y	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
3027328	10.1021/jm00157a022	Human alphaherpesvirus 1	3
3027328	10.1021/jm00157a022	Human alphaherpesvirus 2	3
17325220	10.1128/aac.01447-06	Thymidine kinase	3
2989522	10.1021/jm00145a010	Thymidine kinase, cytosolic	3
17325220	10.1128/aac.01447-06	Unchecked	3
6092635	10.1021/jm00377a007	Human alphaherpesvirus 2	2
17417631	10.1038/nchembio873	NON-PROTEIN TARGET	2
6092635	10.1021/jm00377a007	Human alphaherpesvirus 1	2
195058	10.1021/jm00217a026	Human alphaherpesvirus 1	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
18467107	10.1016/j.bmc.2008.04.045	Thymidylate kinase	2
2989522	10.1021/jm00145a010	Human alphaherpesvirus 2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
195058	10.1021/jm00217a026	Vaccinia virus	2
214555	10.1021/jm00209a010	Enterococcus faecium	2
3027328	10.1021/jm00157a022	L1210	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2

Data from ChEMBL 36 via Core Engine