Compound Detail

CHEMBL533883

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CCCOc1cc2c(cc1OCCC)C(C=Cc1ccc(Cl)cc1Cl)=NC(C)C2.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL533883
Phase	Preclinical
Structure Type	MOL
InChI Key	LWCDVZJDTZEVET-UHFFFAOYSA-N
Parent Compound	CHEMBL531640
Active Moiety	CHEMBL531640

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

432.4

MW (Da)

7.02

ALogP

HBA

HBD

30.8

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucose transporter CHEMBL3431938	IC50	5.89	5.89	1288.0	1
Hexose transporter 1 CHEMBL4697	IC50	5.89	5.89	1280.0	1
Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535	IC50	5.88	5.88	1315.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hexose transporter 1	IC50	=	1280.0	nM	5.89	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes...	-
Glucose transporter	IC50	=	1288.0	nM	5.89	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes...	-
Solute carrier family 2, facilitated glucose transporter member 1	IC50	=	1315.0	nM	5.88	ST_JUDE_LEISH: Cytotoxicity against transgenic Leishmania Mexicana promastigotes...	-

PubMed	DOI	Target Context	# Activities
20485427	10.1038/nature09107	Plasmodium falciparum	4
-	10.6019/CHEMBL3433997	Hexose transporter 1	2
-	10.6019/CHEMBL3433997	Glucose transporter	2
-	10.6019/CHEMBL3433997	Solute carrier family 2, facilitated glucose transporter member 1	2
20485427	10.1038/nature09107	Unchecked	1
20485427	10.1038/nature09107	HepG2	1

Data from ChEMBL 36 via Core Engine