Compound Detail

CHEMBL4536894

Enter ChEMBL ID:

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

CC(=O)N[C@H]1[C@H](O)[C@@H](CO)O[C@H]1c1nc(C(N)=O)cs1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4536894
Phase	Preclinical
Structure Type	MOL
InChI Key	BGDVLFHAAVUIIM-BZNPZCIMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

301.3

MW (Da)

-1.46

ALogP

HBA

HBD

134.8

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 8.21

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
K562 CHEMBL385	IC50	8.21	8.21	6.1	1
Raji CHEMBL614628	IC50	5.59	5.59	2560.0	1
MRC5 CHEMBL614181	IC50	5.49	5.49	3210.0	1
HL-60 CHEMBL383	IC50	4.89	4.89	12860.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
K562	IC50	=	6.1	nM	8.21	Antiproliferative activity against human K562 cells assessed as reduction in cel...	31557614
Raji	IC50	=	2560.0	nM	5.59	Antiproliferative activity against human Raji cells assessed as reduction in cel...	31557614
MRC5	IC50	=	3210.0	nM	5.49	Cytotoxicity against human MRC5 cells assessed as reduction in cell viability in...	31557614
HL-60	IC50	=	12860.0	nM	4.89	Antiproliferative activity against human HL60 cells assessed as reduction in cel...	31557614

PubMed	DOI	Target Context	# Activities
31557614	10.1016/j.ejmech.2019.111712	K562	23
31557614	10.1016/j.ejmech.2019.111712	MRC5	3
31557614	10.1016/j.ejmech.2019.111712	HL-60	1
31557614	10.1016/j.ejmech.2019.111712	Jurkat	1
31557614	10.1016/j.ejmech.2019.111712	Raji	1
31557614	10.1016/j.ejmech.2019.111712	HT-29	1
31557614	10.1016/j.ejmech.2019.111712	HeLa	1

Data from ChEMBL 36 via Core Engine