Compound Detail

CHEMBL3264177

Enter ChEMBL ID:

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

CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3C[C@H](O)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCCNCCCCCCNc3ccnc4cc(Cl)ccc34)[C@@]12C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3264177
Phase	Preclinical
Structure Type	MOL
InChI Key	VXYRFBAAUZKROM-OKYQISJISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

738.5

MW (Da)

8.97

ALogP

HBA

HBD

109.8

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	7.47	7.4333	33.9	3
HepG2 CHEMBL395	IC50	5.69	5.69	2044.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	33.85	nM	7.47	Antimalarial activity against CQ-resistant, MFQ-susceptible Plasmodium falciparu...	24742203
Plasmodium falciparum	IC50	=	36.56	nM	7.44	Antimalarial activity against CQ, MFQ-susceptible Plasmodium falciparum D6 clone...	24742203
Plasmodium falciparum	IC50	=	40.63	nM	7.39	Antimalarial activity against CQ, MFQ-resistant Plasmodium falciparum TM91C235 c...	24742203
HepG2	IC50	=	2044.0	nM	5.69	Cytotoxicity against human HepG2 cells assessed as cell viability after 48 hrs b...	24742203

PubMed	DOI	Target Context	# Activities
24742203	10.1021/jm500033r	Plasmodium falciparum	3
24742203	10.1021/jm500033r	Unchecked	3
24742203	10.1021/jm500033r	Botulinum neurotoxin type A	1
24742203	10.1021/jm500033r	HepG2	1

Data from ChEMBL 36 via Core Engine