Details of the Drug

General Information of Drug (ID: DMK3JZS)

• Drug Name: (3-Amino-propyl)-phosphonic acid
• Synonyms: 3-Aminopropylphosphonic acid; 13138-33-5; (3-aminopropyl)phosphonic acid; Aminopropylphosphonate; 3-Aminopropylphosphonicacid; UNII-VM92T06VPB; (3-Amino-propyl)-phosphonic acid; Phosphonic acid, (3-aminopropyl)-; VM92T06VPB; CHEMBL286077; GSZQTIFGANBTNF-UHFFFAOYSA-N; GEO-00218; NSC-133832; 3-phosphonopropylamine; AK-33107; 3-Appn; (3-Aminopropyl)phosphonic acid, 97%; NSC 133832; Phosphate analogue, 8; PubChem10325; ACMC-1BXXY; AC1L3YTO; 3-aminopropyl-phosphonate; timtec-bb sbb004184; Lopac-A-7162; AC1Q6RQ7; SCHEMBL35883

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 139.09
  Logarithm of the Partition Coefficient (xlogp); -4.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C3H10NO3P
  IUPAC Name: 3-aminopropylphosphonic acid
  Canonical SMILES: C(CN)CP(=O)(O)O
  InChI: InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
  InChIKey: GSZQTIFGANBTNF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 97587
  ChEBI ID: CHEBI:142993
  CAS Number: 13138-33-5
  TTD ID: D04LZJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN ; GABR2_HUMAN	Inhibitor	[1]

References

• [1] Phosphorus analogues of gamma-aminobutyric acid, a new class of anticonvulsants. J Med Chem. 1984 May;27(5):654-9.