Compound Detail

CHEMBL222319

Enter ChEMBL ID:

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

CCC(C(=O)N[C@H]1C2CC3CC1C[C@](C(N)=O)(C3)C2)N1CCCC(F)(F)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL222319
Phase	Preclinical
Structure Type	MOL
InChI Key	JPMYVYXSNDIXGT-IWGYBJIZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

383.5

MW (Da)

2.29

ALogP

HBA

HBD

75.4

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 8.52

IC50 1 meas. best 7.44

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL3910	Ki	8.52	8.52	3.0	1
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235	Ki	8.3	8.3	5.0	1
11-beta-hydroxysteroid dehydrogenase 1 CHEMBL4235	IC50	7.44	7.44	36.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
11-beta-hydroxysteroid dehydrogenase 1	Ki	=	3.0	nM	8.52	Inhibition of mouse truncated 11beta-HSD1 assessed as inhibition of radiolabeled...	16996734
11-beta-hydroxysteroid dehydrogenase 1	Ki	=	5.0	nM	8.3	Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled...	16996734
11-beta-hydroxysteroid dehydrogenase 1	IC50	=	36.0	nM	7.44	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as inhibition...	16996734

PubMed	DOI	Target Context	# Activities
16996734	10.1016/j.bmcl.2006.08.129	11-beta-hydroxysteroid dehydrogenase 1	3
16996734	10.1016/j.bmcl.2006.08.129	11-beta-hydroxysteroid dehydrogenase type 2	2
16996734	10.1016/j.bmcl.2006.08.129	ADMET	1

Data from ChEMBL 36 via Core Engine