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

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.
2	Antimalarial activity of orotate analogs that inhibit dihydroorotase and dihydroorotate dehydrogenase. Biochem Pharmacol. 1992 Mar 17;43(6):1295-301.