Compound Detail

CHEMBL1766766

Enter ChEMBL ID:

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

C[S+]([O-])c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1766766
Phase	Preclinical
Structure Type	MOL
InChI Key	FCWWTHQCXQLULC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

352.4

MW (Da)

2.72

ALogP

HBA

HBD

104.0

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase ATR CHEMBL5024	IC50	6.89	6.89	130.0	1
DNA-dependent protein kinase catalytic subunit CHEMBL3142	IC50	5.7	5.7	2000.0	1
Serine-protein kinase ATM CHEMBL3797	IC50	5.52	5.52	3000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase ATR	IC50	=	130.0	nM	6.89	Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate ...	21413798
DNA-dependent protein kinase catalytic subunit	IC50	=	2000.0	nM	5.7	Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay	21413798
Serine-protein kinase ATM	IC50	=	3000.0	nM	5.52	Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate ...	21413798

PubMed	DOI	Target Context	# Activities
21413798	10.1021/jm101488z	Serine/threonine-protein kinase ATR	1
21413798	10.1021/jm101488z	Serine-protein kinase ATM	1
21413798	10.1021/jm101488z	DNA-dependent protein kinase catalytic subunit	1

Data from ChEMBL 36 via Core Engine