Compound Detail

CHEMBL484526

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CCN(CC)CCCC(C)Nc1c2c3ccccc3nc-2n(C)c2cc(Cl)ccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL484526
Phase	Preclinical
Structure Type	MOL
InChI Key	AZTKBPQCLNPVQN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

423.0

MW (Da)

6.41

ALogP

HBA

HBD

33.1

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	6.89	6.89	130.0	1
ADMET CHEMBL612558	IC50	4.85	4.85	14000.0	1
Schistosoma mansoni CHEMBL612893	IC50	4.71	4.62	19260.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	130.0	nM	6.89	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghan...	19364118
ADMET	IC50	=	14000.0	nM	4.85	Cytotoxicity against human MRC5 SV2 cells after 72 hrs by resazurin-based fluoro...	19364118
Schistosoma mansoni	IC50	=	19260.0	nM	4.71	Antischistosomal activity against Schistosoma mansoni Egyptian assessed as worm ...	33479649
Schistosoma mansoni	IC50	=	29330.0	nM	4.53	Antischistosomal activity against Schistosoma mansoni Puerto-Rican assessed as w...	33479649

PubMed	DOI	Target Context	# Activities
33479649	10.1039/D0MD00062K	Schistosoma mansoni	5
19364118	10.1021/jm801490z	Unchecked	1
19364118	10.1021/jm801490z	Nucleic Acid	1
19364118	10.1021/jm801490z	Histidine-rich protein PFHRP-II	1
19364118	10.1021/jm801490z	Plasmodium falciparum	1
19364118	10.1021/jm801490z	ADMET	1

Data from ChEMBL 36 via Core Engine