Compound Detail

CHEMBL411694

3-DEOXY-2,3-DIDEHYDRO-EPO A

Enter ChEMBL ID:

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

C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)/C=C/C(=O)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL411694
Name	3-DEOXY-2,3-DIDEHYDRO-EPO A
Phase	Preclinical
Structure Type	MOL
InChI Key	RVTOFYCXIURCAT-GIWPDUBHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

475.6

MW (Da)

4.89

ALogP

HBA

HBD

89.0

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.06

EC50 1 meas. best 5.32

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	8.06	8.06	8.7	1
HCT-116 CHEMBL394	IC50	7.79	7.79	16.2	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.61	7.61	24.8	1
Unchecked CHEMBL612545	EC50	5.32	5.32	4800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	8.7	nM	8.06	Antiproliferative activity against human MCF7 cells after 72 hrs by methylene bl...	18271516
HCT-116	IC50	=	16.2	nM	7.79	Antiproliferative activity against human HCT116 cells after 72 hrs by methylene ...	18271516
NON-PROTEIN TARGET	IC50	=	24.8	nM	7.61	Antiproliferative activity against human PC3M cells after 72 hrs by methylene bl...	18271516
Unchecked	EC50	=	4800.0	nM	5.32	Induction of pig brain alpha-beta-tubulin polymerization	18271516

PubMed	DOI	Target Context	# Activities
18271516	10.1021/jm7013452	MCF7	1
18271516	10.1021/jm7013452	NON-PROTEIN TARGET	1
18271516	10.1021/jm7013452	HCT-116	1
18271516	10.1021/jm7013452	Unchecked	1

Data from ChEMBL 36 via Core Engine