Compound Detail

CHEMBL601739

Enter ChEMBL ID:

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

O=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL601739
Phase	Preclinical
Structure Type	MOL
InChI Key	XUOVOGTZQNQWFV-BAQGIRSFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

274.1

MW (Da)

3.32

ALogP

HBA

HBD

46.2

PSA (Å²)

0.80

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	4.82	4.82	15000.0	1
Leishmania infantum CHEMBL612848	IC50	4.39	4.39	40890.0	1
Leishmania braziliensis CHEMBL612878	IC50	4.36	4.36	44160.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Insulin-like growth factor 1 receptor	IC50	=	15000.0	nM	4.82	Inhibition of IGF1R by ELISA	20178321
Leishmania infantum	IC50	=	40890.0	nM	4.39	Antileishmanial activity against Leishmania infantum MHOM/BR/74/PP75 strain prom...	36493616
Leishmania braziliensis	IC50	=	44160.0	nM	4.36	Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 strain...	36493616

PubMed	DOI	Target Context	# Activities
22077389	10.1021/jm201243p	Unchecked	3
36493616	10.1016/j.ejmech.2022.115002	ADMET	2
20178321	10.1021/jm901798e	Insulin-like growth factor 1 receptor	1
20178321	10.1021/jm901798e	Insulin receptor	1
20178321	10.1021/jm901798e	MCF7	1
22077389	10.1021/jm201243p	Prothrombin	1
27517809	10.1016/j.ejmech.2016.07.060	Pteridine reductase 1	1
36493616	10.1016/j.ejmech.2022.115002	Leishmania braziliensis	1
36493616	10.1016/j.ejmech.2022.115002	Leishmania infantum	1

Data from ChEMBL 36 via Core Engine