Compound Detail

CHEMBL290060

Enter ChEMBL ID:

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

CC(=O)Nc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL290060
Phase	Preclinical
Structure Type	MOL
InChI Key	NUACLURYJNJMKV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.4

MW (Da)

3.11

ALogP

HBA

HBD

69.7

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.31	6.31	487.0	2
Unchecked CHEMBL612545	IC50	6.19	6.19	649.0	1
UACC-375 CHEMBL614127	IC50	6.14	6.14	730.0	1
OVCAR-3 CHEMBL614213	IC50	6.14	6.14	730.0	1
Tumor cell line CHEMBL614310	IC50	6.14	6.14	730.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	487.0	nM	6.31	Inhibitory activity against sensitive L1210 cell lines	8648600
L1210	IC50	=	487.0	nM	6.31	Inhibitory activity against resistant murine leukemia L1210 cell lines.	8648600
Unchecked	IC50	=	649.0	nM	6.19	An average for IC50 values in the two solid tumor cell lines and sensitive L1210...	8648600
UACC-375	IC50	=	730.0	nM	6.14	Inhibitory activity against AUC375 cell line	8648600
OVCAR-3	IC50	=	730.0	nM	6.14	Inhibitory activity against OVCAR-3 cell line	8648600
Tumor cell line	IC50	=	730.0	nM	6.14	An average for IC50 values in the two solid tumor cell lines.	8648600

PubMed	DOI	Target Context	# Activities
8648600	10.1021/jm950742g	L1210	2
8648600	10.1021/jm950742g	UACC-375	1
8648600	10.1021/jm950742g	OVCAR-3	1
8648600	10.1021/jm950742g	Tumor cell line	1
8648600	10.1021/jm950742g	Unchecked	1
8648600	10.1021/jm950742g	Rattus norvegicus	1
8648600	10.1021/jm950742g	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine