Compound Detail

CHEMBL1946234

Enter ChEMBL ID:

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

C=CCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1946234
Phase	Preclinical
Structure Type	MOL
InChI Key	SIZJDOLKNDHNOO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

283.4

MW (Da)

3.26

ALogP

HBA

HBD

38.3

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 9.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	9.77	9.755	0.2	4
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	6.84	6.84	144.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	0.17	nM	9.77	Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel...	22301214
Unchecked	Ki	=	0.17	nM	9.77	Displacement of [125I]iodomelatonin form human MT1 receptor expressed in CHO cel...	22301214
Unchecked	Ki	=	0.18	nM	9.74	Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel...	22301214
Unchecked	Ki	=	0.18	nM	9.74	Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel...	22301214
5-hydroxytryptamine receptor 2C	Ki	=	144.0	nM	6.84	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells...	22301214

PubMed	DOI	Target Context	# Activities
22301214	10.1016/j.ejmech.2012.01.027	Unchecked	4
22301214	10.1016/j.ejmech.2012.01.027	5-hydroxytryptamine receptor 2C	1

Data from ChEMBL 36 via Core Engine