Details of the Drug

General Information of Drug (ID: DMPQZ80)

• Drug Name: Acivicin
• Synonyms: acivicin; 42228-92-2; Antibiotic AT 125; Acivicinum; Acivicino; Acivicine; AT-125; AT 125; NSC-163501; NSC 163501; NSC163501; UNII-O0X60K76I6; ACIA; U 42126; CHEBI:74545; O0X60K76I6; U-42,126; Acivicin [USAN:INN]; (alphaS,5S)-alpha-Amino-3-chloro-2-isoxazoline-5-acetic acid; Acivicinum [INN-Latin]; Acivicine [INN-French]; Acivicino [INN-Spanish]; (alpha-S,5S)-alpha-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid; C5H7ClN2O3; (2S)-2-Amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid; U-42126
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 178.57
  Logarithm of the Partition Coefficient (xlogp); -2.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C5H7ClN2O3
  IUPAC Name: (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
  Canonical SMILES: C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N
  InChI: InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
  InChIKey: QAWIHIJWNYOLBE-OKKQSCSOSA-N
• Cross-matching ID:
  PubChem CID: 294641
  ChEBI ID: CHEBI:74545
  CAS Number: 42228-92-2
  TTD ID: D02JUT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CTP synthase (CTPS1)	TTN12BZ	PYRG1_HUMAN	Inhibitor	[1]
Leishmania Carbamoyl-phosphate synthase (Leishm CPS)	TT5XOKS	E9BCR2_LEIDB	Inhibitor	[2]

References

• [1] Synergistic effects with inhibitors of de novo pyrimidine synthesis, acivicin, and N-(phosphonacetyl)-L-aspartic acid. Cancer Res. 1981 Sep;41(9 Pt 1):3419-23.
• [2] Acivicin: a highly active potential chemotherapeutic agent against visceral leishmaniasis. Biochem Biophys Res Commun. 1990 Jul 31;170(2):426-32.