Compound Detail

CHEMBL5091256

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CN(C)CCNC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5091256
Phase	Preclinical
Structure Type	MOL
InChI Key	JURVYRCHCAKIQC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.4

MW (Da)

2.29

ALogP

HBA

HBD

66.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
DNA-directed RNA polymerase I subunit RPA1 CHEMBL3286067	IC50	6.8	6.8	160.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	5.34	5.34	4530.0	1
Cytochrome P450 1A2 CHEMBL3356	IC50	4.88	4.88	13200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
DNA-directed RNA polymerase I subunit RPA1	IC50	=	160.0	nM	6.8	Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation mea...	35450366
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	4530.0	nM	5.34	Inhibition on hERG expressed in HEK293 cells by Qpatch method	35450366
Cytochrome P450 1A2	IC50	=	13200.0	nM	4.88	Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect c...	35450366

PubMed	DOI	Target Context	# Activities
35450366	10.1021/acsmedchemlett.1c00660	Cytochrome P450 1A2	1
35450366	10.1021/acsmedchemlett.1c00660	DNA-directed RNA polymerase I subunit RPA1	1
35450366	10.1021/acsmedchemlett.1c00660	Voltage-gated inwardly rectifying potassium channel KCNH2	1

Data from ChEMBL 36 via Core Engine