Details of the Drug

General Information of Drug (ID: DM7Z892)

Drug Name
D-aspartic acid
Synonyms
D-Aspartic acid; 1783-96-6; (R)-2-aminosuccinic acid; D-Aspartate; H-D-Asp-OH; (-)-Aspartic acid; (R)-Aspartic acid; Aspartic acid D-form; (2R)-2-aminobutanedioic acid; Aspartic acid, D-; D-(-)-Aspartic acid; (R)-(-)-Aminosuccinic acid; D-Asp; D-Aminosuccinic acid; NSC 97922; D-Asparaginsaeure; UNII-4SR0Q8YD1X; BRN 1723529; Tocris-0213; EINECS 217-234-6; 4SR0Q8YD1X; (R)-2-aminobutanedioic acid; CHEMBL29757; CHEBI:17364; CKLJMWTZIZZHCS-UWTATZPHSA-N; MFCD00063081; NCGC00024498-02; (R)-2-Aminobutanedioate; D(-)-Aspartic acid, 99+%; D-aspartate; [3H]D-aspartic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 133.1
Logarithm of the Partition Coefficient (xlogp) -2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C4H7NO4
IUPAC Name
(2R)-2-aminobutanedioic acid
Canonical SMILES
C([C@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKey
CKLJMWTZIZZHCS-UWTATZPHSA-N
Cross-matching ID
PubChem CID
83887
ChEBI ID
CHEMBL29757
CAS Number
1783-96-6
UNII
4SR0Q8YD1X
DrugBank ID
DB02655
TTD ID
D08CAB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Excitatory amino acid transporter 1 (SLC1A3) TT8WRDA EAA1_HUMAN Modulator [2]
Excitatory amino acid transporter 2 (SLC1A2) TT2F078 EAA2_HUMAN Modulator [3]
Excitatory amino acid transporter 3 (SLC1A1) TTG2A6F EAA3_HUMAN Modulator [4]
Excitatory amino acid transporter 4 (SLC1A6) TT6KMPN EAA4_HUMAN Modulator [5]
Excitatory amino acid transporter 5 (SLC1A7) TTK41DM EAA5_HUMAN Modulator [6]
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Agonist [7]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Agonist [8]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Agonist [9]
Glutamate receptor ionotropic NMDA 2C (GluN2C) TT1M8OW NMDE3_HUMAN Agonist [10]
Glutamate receptor ionotropic NMDA 2D (GluN2D) TT5POTG NMDE4_HUMAN Agonist [11]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4698).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 868).
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 869).
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 870).
5 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 871).
6 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 872).
7 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 455).
8 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 456).
9 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 457).
10 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 458).
11 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 459).