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
UNII
R2521024DK
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.