Compound Detail

CHEMBL2151612

Enter ChEMBL ID:

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

CCCCCCCCO/N=C1\CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)OC)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2151612
Phase	Preclinical
Structure Type	MOL
InChI Key	RPYMAIOUICSUNB-KWIGWNJISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

609.9

MW (Da)

9.87

ALogP

HBA

HBD

65.0

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
SW-1736 CHEMBL614773	IC50	4.75	4.75	17770.0	1
A2780 CHEMBL614004	IC50	4.71	4.71	19730.0	1
MCF7 CHEMBL387	IC50	4.58	4.58	26350.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
SW-1736	IC50	=	17770.0	nM	4.75	Cytotoxicity against human SW1736 cells after 96 hrs by SRB assay	21959232
A2780	IC50	=	19730.0	nM	4.71	Cytotoxicity against human A2780 cells after 96 hrs by SRB assay	21959232
MCF7	IC50	=	26350.0	nM	4.58	Cytotoxicity against human MCF7 cells after 96 hrs by SRB assay	21959232

PubMed	DOI	Target Context	# Activities
21959232	10.1016/j.ejmech.2011.08.038	NON-PROTEIN TARGET	3
21959232	10.1016/j.ejmech.2011.08.038	A549	1
21959232	10.1016/j.ejmech.2011.08.038	DLD-1	1
21959232	10.1016/j.ejmech.2011.08.038	MCF7	1
21959232	10.1016/j.ejmech.2011.08.038	SW-1736	1
21959232	10.1016/j.ejmech.2011.08.038	8505C	1
21959232	10.1016/j.ejmech.2011.08.038	A2780	1

Data from ChEMBL 36 via Core Engine