Compound Detail

CHEMBL333690

Enter ChEMBL ID:

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

CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2c1C(=O)c1ccccc1C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL333690
Phase	Preclinical
Structure Type	MOL
InChI Key	SXSXWPDVUAFAFH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.5

MW (Da)

1.04

ALogP

HBA

HBD

98.8

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
WiDr CHEMBL614647	IC50	5.35	5.35	4500.0	1
RPMI-8226 CHEMBL614882	IC50	5.3	5.3	5000.0	1
L1210 CHEMBL386	IC50	4.2	4.17	63000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
WiDr	IC50	=	4500.0	nM	5.35	Compound was tested for potency against human colon carcinoma WiDr cells in a su...	9371238
RPMI-8226	IC50	=	5000.0	nM	5.3	Compound was tested for potency against human myeloma 8226 cells (40 fold resist...	9371238
L1210	IC50	=	63000.0	nM	4.2	Compound was tested for potency against multidrug-resistant murine leukemia L121...	9371238
L1210	IC50	=	73000.0	nM	4.14	Compound was tested for potency against multi drug resistant murine leukemia L12...	9371238

PubMed	DOI	Target Context	# Activities
9371238	10.1021/jm970308+	RPMI-8226	2
9371238	10.1021/jm970308+	L1210	2
9371238	10.1021/jm970308+	WiDr	1
9371238	10.1021/jm970308+	SW480	1
9371238	10.1021/jm970308+	A549	1

Data from ChEMBL 36 via Core Engine