Details of the Drug

General Information of Drug (ID: DM264XN)

Drug Name
ACPT-I
Synonyms 1-aminocyclopentane-1,3,4-tricarboxylic acid
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): 1 Molecular Weight (mw) 217.18
Logarithm of the Partition Coefficient (xlogp) -4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C8H11NO6
IUPAC Name
(1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic acid
Canonical SMILES
C1[C@H]([C@H](CC1(C(=O)O)N)C(=O)O)C(=O)O
InChI
InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8?
InChIKey
FERIKTBTNCSGJS-OBLUMXEWSA-N
Cross-matching ID
PubChem CID
6604820
TTD ID
D0W3PY
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 4 (mGluR4) TTICZ1O GRM4_HUMAN Agonist [2]
Metabotropic glutamate receptor 6 (mGluR6) TTWRP2F GRM6_HUMAN Agonist [3]
Metabotropic glutamate receptor 8 (mGluR8) TT0IFKL GRM8_HUMAN Agonist [4]
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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: 1408).
2 Synthesis and pharmacological characterization of aminocyclopentanetricarboxylic acids: new tools to discriminate between metabotropic glutamate receptor subtypes. J Med Chem. 1997 Sep 12;40(19):3119-29.
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: 294).
4 Pharmacological characterization of the rat metabotropic glutamate receptor type 8a revealed strong similarities and slight differences with the type 4a receptor. Eur J Pharmacol. 2000 Apr 7;394(1):17-26.