Compound Detail

CHEMBL28854

SIPATRIGINE

🧪 Phase II

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🧪 Phase II

CN1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28854
Name	SIPATRIGINE
Phase	Phase II
Structure Type	MOL
InChI Key	PDOCBJADCWMDGL-UHFFFAOYSA-N

Known Names

619-C-89 619C89 Sipatrigina Sipatrigine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

372.7

MW (Da)

3.44

ALogP

HBA

HBD

58.3

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-trigine

Extended Properties

Molecular Formula	C15H16Cl3N5
MW	372.69
Aromatic Rings	2
Heavy Atoms	23
NP-Likeness	-1.42

Activity Summary

IC50 10 meas. best 6.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.3	5.4175	500.0	4
Sodium channel protein type 2 subunit alpha CHEMBL3399	IC50	5.59	5.59	2550.0	1
Sodium channel protein type 2 subunit alpha CHEMBL4187	IC50	5.59	5.59	2550.0	1
Potassium channel subfamily K member 2 CHEMBL2321615	IC50	5.4	5.4	4000.0	1
Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456	IC50	5.22	5.22	6020.0	1
Rattus norvegicus CHEMBL376	IC50	5.16	5.16	7000.0	1
Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171	IC50	4.75	4.75	17850.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	500.0	nM	6.3	Displacement of [3H]BW202W92 from voltage-gated sodium channel in Wistar rat for...	19341281
Sodium channel protein type 2 subunit alpha	IC50	=	2550.0	nM	5.59	Blockade of synaptosomal sodium channels, inhibition of [14C]guanidinium ion flu...	-
Sodium channel protein type 2 subunit alpha	IC50	=	2550.0	nM	5.59	Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line...	9703475
Unchecked	IC50	=	3860.0	nM	5.41	Inhibition of 45 [Ca2+] flux into rat brain synaptosomes depolarized by elevated...	-
Potassium channel subfamily K member 2	IC50	=	4000.0	nM	5.4	Inhibition of of human TREK1 expressed in HEK293 cells assessed as reversible cu...	26588045
Unchecked	IC50	=	5300.0	nM	5.28	Inhibition of veratridine-induced guanidine flux in cardiac voltage-gated sodium...	11170622
Voltage-dependent L-type calcium channel subunit alpha-1C	IC50	=	6020.0	nM	5.22	Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in gu...	-
Rattus norvegicus	IC50	=	7000.0	nM	5.16	Compound was evaluated in the rat brain synaptosomal preparations for the inhibi...	-
Sodium channel alpha subunits; brain (Types I, II, III)	IC50	=	17850.0	nM	4.75	Inhibitory effect against veratridine-induced glutamate release from rat brain s...	12166948
Unchecked	IC50	=	21000.0	nM	4.68	Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ...	19341281

Literature References

PubMed	DOI	Target Context	# Activities
19341281	10.1021/jm801180p	Sodium channel protein type 8 subunit alpha	5
19341281	10.1021/jm801180p	Sodium channel protein type 2 subunit alpha	4
12166948	10.1021/jm020875j	Sodium channel alpha subunits; brain (Types I, II, III)	3
26588045	10.1021/acs.jmedchem.5b00671	Potassium channel subfamily K member 2	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
19341281	10.1021/jm801180p	Unchecked	2
11170622	10.1021/jm000155h	Rattus norvegicus	2
9703475	10.1021/jm980134b	No relevant target	1
11170622	10.1021/jm000155h	Unchecked	1
9703475	10.1021/jm980134b	Unchecked	1
12166948	10.1021/jm020875j	Glutamate NMDA receptor	1
9703475	10.1021/jm980134b	Glutamate NMDA receptor	1
9703475	10.1021/jm980134b	Sodium channel protein type 2 subunit alpha	1
19341281	10.1021/jm801180p	Hippocampus	1
-	10.1016/0960-894X(95)00392-7	Sodium channel protein type 2 subunit alpha	1
-	10.1016/0960-894X(95)00392-7	Unchecked	1
19341281	10.1021/jm801180p	Sodium channel protein type 3 subunit alpha	1
19341281	10.1021/jm801180p	Sodium channel protein type 9 subunit alpha	1
-	10.1016/0960-894X(95)00392-7	Sodium channel alpha subunits; brain (Types I, II, III)	1

Data from ChEMBL 36 via Core Engine