Details of the Drug

General Information of Drug (ID: DMJ13TR)

Drug Name
N-Carbamoyl-L-Aspartate
Synonyms
N-carbamoyl-L-aspartate; N-Carbamoyl-L-aspartic acid; Ureidosuccinate; L-Ureidosuccinic acid; L-Ureidosuccinate; Carbamyl-L-aspartic acid; Carbamoylaspartic acid; N-Carbamoyl-S-aspartic acid; L-N-Carbamoylaspartic acid; Succinic acid, ureido-; Carbamylaspartic acid; Aspartic acid, N-carbamoyl-; UNII-R2521024DK; N-Carbamoylaspartic acid; 2-Ureidobutanedioic acid; 13184-27-5; EINECS 236-134-3; NSC 14983; L-Aspartic acid, N-(aminocarbonyl)-; N-(aminocarbonyl)-L-aspartic acid; R2521024DK; carbamyl-aspartate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 176.13
Logarithm of the Partition Coefficient (xlogp) -1.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C5H8N2O5
IUPAC Name
(2S)-2-(carbamoylamino)butanedioic acid
Canonical SMILES
C([C@@H](C(=O)O)NC(=O)N)C(=O)O
InChI
InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey
HLKXYZVTANABHZ-REOHCLBHSA-N
Cross-matching ID
PubChem CID
93072
ChEBI ID
CHEBI:15859
CAS Number
13184-27-5
DrugBank ID
DB04252
TTD ID
D0E1IO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Dihydroorotase (Malaria dho) TT09NOX A9CSR1_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.