Structure

InChI Key LCQLHJZYVOQKHU-VKHMYHEASA-N
Smile 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

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Propionic Acidemia 3 D056693 ClinicalTrials
Metabolism, Inborn Errors 2 D008661 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
15.56
General disorders and administration site conditions
13.86
Injury, poisoning and procedural complications
13.58
Investigations
8.63
Infections and infestations
8.2
Nervous system disorders
7.5
Metabolism and nutrition disorders
6.93
Respiratory, thoracic and mediastinal disorders
6.51
Hepatobiliary disorders
3.25
Vascular disorders
2.83
Cardiac disorders
2.69
Surgical and medical procedures
2.55

Cross References

Resources Reference
CAS NUMBER 1188-38-1
ChEBI 71028
ChEMBL CHEMBL1201780
DrugBank DB06775
DrugCentral 3068
EPA CompTox DTXSID7046706
FDA SRS 5L0HB4V1EW
Human Metabolome Database HMDB0015673
Guide to Pharmacology 7458
KEGG C05829
PharmGKB PA165958402
PubChem 121396
SureChEMBL SCHEMBL373546
ZINC ZINC000001530283