Compound Detail

CHEMBL4552751

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Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@H](C(=O)O)C4)cc3)sc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4552751
Phase	Preclinical
Structure Type	MOL
InChI Key	OUAZWUKQRHZQNC-CABCVRRESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

380.5

MW (Da)

4.71

ALogP

HBA

HBD

79.3

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 9 meas. best 5.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Potassium channel subfamily K member 2 CHEMBL2321615	EC50	5.41	4.9614	3910.0	7
TREK-2 two-pore-domain K+ channel CHEMBL4523310	EC50	4.95	4.95	11310.0	1
Potassium channel subfamily K member 4 CHEMBL3714486	EC50	4.82	4.82	15290.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Potassium channel subfamily K member 2	EC50	=	3910.0	nM	5.41	Activation of recombinant human TREK1 W290A mutant expressed in HEK293T cells as...	32162512
Potassium channel subfamily K member 2	EC50	=	7570.0	nM	5.12	Activation of recombinant human TREK1 T156A mutant expressed in HEK293T cells as...	32162512
Potassium channel subfamily K member 2	EC50	=	7980.0	nM	5.1	Activation of recombinant human TREK1 I293A mutant expressed in HEK293T cells as...	32162512
TREK-2 two-pore-domain K+ channel	EC50	=	11310.0	nM	4.95	Activation of recombinant mouse TREK2 expressed in HEK293T cells assessed as inc...	32162512
Potassium channel subfamily K member 2	EC50	=	12810.0	nM	4.89	Activation of recombinant human TREK1 expressed in HEK293T cells assessed as inc...	32162512
Potassium channel subfamily K member 4	EC50	=	15290.0	nM	4.82	Activation of recombinant human TRAAK expressed in HEK293T cells assessed as inc...	32162512
Potassium channel subfamily K member 2	EC50	=	15190.0	nM	4.82	Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells as...	32162512
Potassium channel subfamily K member 2	EC50	=	18400.0	nM	4.74	Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells as...	32162512
Potassium channel subfamily K member 2	EC50	=	22430.0	nM	4.65	Activation of recombinant human TREK1 F149A mutant expressed in HEK293T cells as...	32162512

PubMed	DOI	Target Context	# Activities
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 2	22
32162512	10.1021/acs.jmedchem.9b02163	Mus musculus	11
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 4	3
32162512	10.1021/acs.jmedchem.9b02163	TREK-2 two-pore-domain K+ channel	2
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 9	1
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 3	1
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 18	1
32162512	10.1021/acs.jmedchem.9b02163	Potassium channel subfamily K member 13	1
32162512	10.1021/acs.jmedchem.9b02163	ADMET	1

Data from ChEMBL 36 via Core Engine