Compound Detail

CHEMBL280243

Enter ChEMBL ID:

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

CC(C)c1ccccc1NC(=N)Nc1ccccc1C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL280243
Phase	Preclinical
Structure Type	MOL
InChI Key	KCNBAUKGODRNGM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

295.4

MW (Da)

5.39

ALogP

HBA

HBD

47.9

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sigma non-opioid intracellular receptor 1 CHEMBL287	IC50	7.19	7.125	65.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	6.66	6.66	217.0	1
Glutamate [NMDA] receptor CHEMBL2094124	IC50	6.56	6.56	275.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sigma non-opioid intracellular receptor 1	IC50	=	65.0	nM	7.19	In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in...	1975275
Sigma non-opioid intracellular receptor 1	IC50	=	88.0	nM	7.06	Tested in vitro for the concentration required to inhibit specific [3H]DTG radio...	8295213
Glutamate NMDA receptor	IC50	=	217.0	nM	6.66	In vitro concentration required to inhibit specific [3H]MK-801 radioligand bindi...	8295213
Glutamate [NMDA] receptor	IC50	=	275.0	nM	6.56	In vitro inhibitory activity against [3H](+)-MK-801 binding to PCP receptor in g...	1975275

PubMed	DOI	Target Context	# Activities
8295213	10.1021/jm00028a009	Glutamate NMDA receptor	1
8295213	10.1021/jm00028a009	Sigma non-opioid intracellular receptor 1	1
1975275	10.1021/jm00171a016	Sigma non-opioid intracellular receptor 1	1
1975275	10.1021/jm00171a016	Glutamate [NMDA] receptor	1

Data from ChEMBL 36 via Core Engine