Compound Detail

CHEMBL1231506

TEGLICAR

🧪 Phase II

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🧪 Phase II

CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1231506
Name	TEGLICAR
Phase	Phase II
Structure Type	MOL
InChI Key	BMZYTDRMCBZVNH-HXUWFJFHSA-N

Known Names

Teglicar

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

399.6

MW (Da)

3.20

ALogP

HBA

HBD

81.3

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Extended Properties

Molecular Formula	C22H45N3O3
MW	399.62
Aromatic Rings	0
Heavy Atoms	28
NP-Likeness	-0.25

Activity Summary

IC50 13 meas. best 6.8

Ki 2 meas. best 6.44

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL3238	IC50	6.8	6.8	160.0	1
Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL1293194	Ki	6.44	6.44	360.0	1
Unchecked CHEMBL612545	Ki	6.44	6.44	360.0	1
Carnitine O-palmitoyltransferase 2, mitochondrial CHEMBL4037	IC50	6.42	6.42	380.0	1
Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL1293194	IC50	6.17	6.075	680.0	2
Unchecked CHEMBL612545	IC50	6.01	5.4325	980.0	4
KB CHEMBL398	IC50	5.96	5.96	1100.0	1
Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL3216	IC50	5.84	5.84	1450.0	1
Carnitine O-palmitoyltransferase 1, muscle isoform CHEMBL2216739	IC50	5.27	5.27	5400.0	1
Carnitine O-palmitoyltransferase 1, liver isoform CHEMBL3858	IC50	4.23	4.23	58800.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	25.0	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carnitine O-palmitoyltransferase 2, mitochondrial	IC50	=	160.0	nM	6.8	Inhibition of human CPT2	21504156
Unchecked	Ki	=	360.0	nM	6.44	Competitive inhibition of carnitine palmitoyltransferase using palmitoyl-CoA	21504156
Carnitine O-palmitoyltransferase 1, liver isoform	Ki	=	360.0	nM	6.44	Binding affinity to CPT1 (unknown origin) assessed as inhibition constant	38621327
Carnitine O-palmitoyltransferase 2, mitochondrial	IC50	=	380.0	nM	6.42	Inhibition of rat CPT2	21504156
Carnitine O-palmitoyltransferase 1, liver isoform	IC50	=	680.0	nM	6.17	Inhibition of CPT1 (unknown origin)	38621327
Unchecked	IC50	=	980.0	nM	6.01	Inhibition of rat FAO	21504156
Carnitine O-palmitoyltransferase 1, liver isoform	IC50	=	1050.0	nM	5.98	Inhibition of human CPT1A	21504156
KB	IC50	=	1100.0	nM	5.96	Cytotoxicity in human KB cells	21504156
Unchecked	IC50	=	1100.0	nM	5.96	Inhibition of carnitine palmitoyltransferase in rat liver mitochondria assessed ...	21504156
Carnitine O-palmitoyltransferase 1, muscle isoform	IC50	=	1450.0	nM	5.84	Maximal inhibition of rat CPT1A	21504156
Unchecked	IC50	=	4000.0	nM	5.4	Inhibition of human FAO	21504156
Carnitine O-palmitoyltransferase 1, muscle isoform	IC50	=	5400.0	nM	5.27	Inhibition of human CPT1B	21504156
Unchecked	IC50	=	43400.0	nM	4.36	Inhibition of carnitine palmitoyltransferase in rat heart mitochondria assessed ...	21504156
Carnitine O-palmitoyltransferase 1, liver isoform	IC50	=	58800.0	nM	4.23	Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltra...	12519067

Literature References

PubMed	DOI	Target Context	# Activities
21504156	10.1021/jm100809g	Mus musculus	8
21504156	10.1021/jm100809g	Unchecked	5
21504156	10.1021/jm100809g	Homo sapiens	3
21504156	10.1021/jm100809g	Carnitine O-palmitoyltransferase 2, mitochondrial	2
21504156	10.1021/jm100809g	Carnitine O-palmitoyltransferase 1, muscle isoform	2
21504156	10.1021/jm100809g	Rattus norvegicus	2
38621327	10.1016/j.ejmech.2024.116408	Carnitine O-palmitoyltransferase 1, liver isoform	2
12519067	10.1021/jm020979u	Carnitine O-palmitoyltransferase 1, liver isoform	1
12519067	10.1021/jm020979u	Carnitine O-palmitoyltransferase 1, muscle isoform	1
21504156	10.1021/jm100809g	KB	1
21504156	10.1021/jm100809g	Carnitine O-palmitoyltransferase 1, liver isoform	1
21504156	10.1021/jm100809g	Cynomolgus monkey	1
21504156	10.1021/jm100809g	No relevant target	1

Data from ChEMBL 36 via Core Engine