Compound Detail

CHEMBL1760798

Enter ChEMBL ID:

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

Cn1c(-c2ccc(-c3cnoc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1760798
Phase	Preclinical
Structure Type	MOL
InChI Key	JBFDRORHJJBVHA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

390.9

MW (Da)

5.26

ALogP

HBA

HBD

56.7

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.96

EC50 1 meas. best 4.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235	IC50	8.96	8.96	1.1	1
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910	IC50	8.39	8.39	4.1	1
Nuclear receptor subfamily 1 group I member 2 CHEMBL3401	EC50	4.64	4.64	23000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
11-beta-hydroxysteroid dehydrogenase 1	IC50	=	1.1	nM	8.96	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion...	21334894
11-beta-hydroxysteroid dehydrogenase 1	IC50	=	4.1	nM	8.39	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion...	21334894
Nuclear receptor subfamily 1 group I member 2	EC50	=	23000.0	nM	4.64	Agonist activity at PXR	21334894

PubMed	DOI	Target Context	# Activities
21334894	10.1016/j.bmcl.2011.01.125	11-beta-hydroxysteroid dehydrogenase type 2	2
21334894	10.1016/j.bmcl.2011.01.125	11-beta-hydroxysteroid dehydrogenase 1	2
21334894	10.1016/j.bmcl.2011.01.125	Nuclear receptor subfamily 1 group I member 2	2

Data from ChEMBL 36 via Core Engine