Compound Detail

CHEMBL2435423

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COc1cc2c(cc1C(C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2435423
Phase	Preclinical
Structure Type	MOL
InChI Key	QTTFZKVHOYSYCT-ZHACJKMWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

363.5

MW (Da)

4.77

ALogP

HBA

HBD

47.6

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Leishmania tarentolae CHEMBL612915	IC50	5.75	5.75	1780.0	1
Trypanosoma cruzi CHEMBL368	IC50	4.64	4.64	23100.0	1
Leishmania donovani CHEMBL367	IC50	4.58	4.58	26300.0	1
Trypanosoma brucei rhodesiense CHEMBL612348	IC50	4.45	4.45	35900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Leishmania tarentolae	IC50	=	1780.0	nM	5.75	Antiprotozoal activity against promastigote form of Leishmania tarentolae P10 as...	23968432
Trypanosoma cruzi	IC50	=	23100.0	nM	4.64	Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz...	23968432
Leishmania donovani	IC50	=	26300.0	nM	4.58	Antiprotozoal activity against axenic amastigote form of Leishmania donovani MHO...	23968432
Trypanosoma brucei rhodesiense	IC50	=	35900.0	nM	4.45	Antiprotozoal activity against trypomastigote form of Trypanosoma brucei rhodesi...	23968432

PubMed	DOI	Target Context	# Activities
23968432	10.1021/jm401007p	Unchecked	3
23968432	10.1021/jm401007p	Leishmania tarentolae	1
23968432	10.1021/jm401007p	Leishmania donovani	1
23968432	10.1021/jm401007p	Trypanosoma cruzi	1
23968432	10.1021/jm401007p	Trypanosoma brucei rhodesiense	1
23968432	10.1021/jm401007p	Plasmodium falciparum	1
23968432	10.1021/jm401007p	L6	1

Data from ChEMBL 36 via Core Engine