Compound Detail

CHEMBL522190

Enter ChEMBL ID:

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

CNC(=O)c1cc2c3cc4c(cc3ncc2c2cc(OC)c(OC)cc12)OCO4

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL522190
Phase	Preclinical
Structure Type	MOL
InChI Key	XNIXCXXIHAGFPF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.4

MW (Da)

3.65

ALogP

HBA

HBD

78.9

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P388 CHEMBL389	IC50	7.52	7.02	30.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.51	7.2525	31.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	30.0	nM	7.52	Cytotoxicity against mouse P388 cells after 4 days by MTT method	19303306
NON-PROTEIN TARGET	IC50	=	31.0	nM	7.51	Cytotoxicity against human KB3-1 cells after 4 days by MTT method	19303306
NON-PROTEIN TARGET	IC50	=	40.0	nM	7.4	Cytotoxicity against human RPMI8402 cells after 4 days by MTT method	19303306
NON-PROTEIN TARGET	IC50	=	80.0	nM	7.1	Cytotoxicity against BCRP overexpressing human KBH5.0 cells after 4 days by MTT ...	19303306
NON-PROTEIN TARGET	IC50	=	100.0	nM	7.0	Cytotoxicity against MDR1 overexpressing human KBV1 cells after 4 days by MTT me...	19303306
P388	IC50	=	300.0	nM	6.52	Cytotoxicity against camptothecin-resistant mouse P388 cells after 4 days by MTT...	19303306

PubMed	DOI	Target Context	# Activities
19303306	10.1016/j.bmc.2009.02.023	NON-PROTEIN TARGET	5
19303306	10.1016/j.bmc.2009.02.023	P388	2
19303306	10.1016/j.bmc.2009.02.023	DNA topoisomerase 1	1

Data from ChEMBL 36 via Core Engine