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
Structure
3D MOL 2D MOL
#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
CHEMBL74545
CAS Number
42228-92-2
TTD ID
D02JUT
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.