Acivicin

AlkaPlorer ID: AK283121

Synonym: α-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid, 2-Amino-2-(3-chloro-4,5-dihydro-5-isoxazolyl)acetic acid, AT 125, NSC 163501, U 42126, Antibiotic AT 125, Antibiotic U 42126

IUPAC Name: 2-amino-2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)acetic acid

Structure

SMILES: NC(C(=O)O)C1CC(Cl)=NO1

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InChI: InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)

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InChIKey: QAWIHIJWNYOLBE-UHFFFAOYSA-N

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Reference

PubChem CID: 2007

CAS: 42228-92-2

COCONUT: CNP0170247.5

Source

Properties Information

Molecule Weight: 178.575

TPSA: 84.91000000000001

MolLogP: -0.2604999999999999

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens DNA polymerase beta Potency 89125.1 nM None
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 3294.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4653.5 nM None
None Unchecked EC50 175.0 nM None

Metabolism Information