Compound Detail

CHEMBL480259

Enter ChEMBL ID:

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

CCN(CCO)CCCCC[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL480259
Phase	Preclinical
Structure Type	MOL
InChI Key	YYBJFXVPOLZSBP-URGWDIIDSA-N
Parent Compound	CHEMBL1186839
Active Moiety	CHEMBL1186839

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.0

MW (Da)

5.20

ALogP

HBA

HBD

53.0

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lanosterol synthase ERG7 CHEMBL5355	IC50	7.0	7.0	100.0	1
Cycloartenol synthase CHEMBL5356	IC50	6.16	6.16	700.0	1
Unchecked CHEMBL612545	IC50	5.7	5.65	2000.0	2
Lanosterol synthase CHEMBL3593	IC50	5.38	5.38	4120.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lanosterol synthase ERG7	IC50	=	100.0	nM	7.0	Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8	19119009
Cycloartenol synthase	IC50	=	700.0	nM	6.16	Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomy...	19119009
Unchecked	IC50	=	2000.0	nM	5.7	Inhibition of Trypanosoma cruzi OSC expressed in Saccharomyces cerevisiae SMY8	19119009
Unchecked	IC50	=	2500.0	nM	5.6	Inhibition of Pneumocystis carinii OSC expressed in Saccharomyces cerevisiae SMY...	19119009
Lanosterol synthase	IC50	=	4120.0	nM	5.38	Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8	19119009

PubMed	DOI	Target Context	# Activities
19119009	10.1016/j.bmcl.2008.12.040	Unchecked	2
19119009	10.1016/j.bmcl.2008.12.040	Lanosterol synthase ERG7	1
19119009	10.1016/j.bmcl.2008.12.040	Cycloartenol synthase	1
19119009	10.1016/j.bmcl.2008.12.040	Lanosterol synthase	1

Data from ChEMBL 36 via Core Engine