CARGLUMIC ACID

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Search structure


Trade Names	CARBAGLU
Synonyms	Carbaglu Carglumic acid N-carbamyl-l-glutamic acid NSC-760124 OE 312 OE 312 (LABORATORY CODE DESIGNATION) OE-312
Status
Molecule Category	UNKNOWN
ATC	A16AA05
UNII	5L0HB4V1EW
EPA CompTox	DTXSID7046706


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	LCQLHJZYVOQKHU-VKHMYHEASA-N
Smiles	NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI	InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H10N2O5
Molecular Weight	190.16
AlogP	-1.03
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	129.72
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	13.0

Bioactivity

Mechanism of Action	Action	Reference
Carbamoyl-phosphate synthase [ammonia], mitochondrial positive allosteric modulator	POSITIVE ALLOSTERIC MODULATOR	DailyMed

Assay Description	Organism	Bioactivity	Reference
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	7.18 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	-4.06 %		SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	8.602 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.02 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.02 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.08 %

Cross References

Resources	Reference
ChEBI	71028
ChEMBL	CHEMBL1201780
DrugBank	DB06775
DrugCentral	3068
FDA SRS	5L0HB4V1EW
Human Metabolome Database	HMDB0015673
Guide to Pharmacology	7458
KEGG	C05829
PharmGKB	PA165958402
PubChem	121396
SureChEMBL	SCHEMBL373546
ZINC	ZINC000001530283

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).