5-Fluoro-3-chloro-2-hydroxybenzaldehyde-D-glycine

ID: ALA2281564

Chembl Id: CHEMBL2281564

PubChem CID: 136264375

Max Phase: Preclinical

Molecular Formula: C9H7ClFNO3

Molecular Weight: 231.61

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  O=C(O)C/N=C/c1cc(F)cc(Cl)c1O

Standard InChI:  InChI=1S/C9H7ClFNO3/c10-7-2-6(11)1-5(9(7)15)3-12-4-8(13)14/h1-3,15H,4H2,(H,13,14)/b12-3+

Standard InChI Key:  ADVZJGGXUWNBNP-KGVSQERTSA-N

Alternative Forms

  1. Parent:

    ALA2281564

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Associated Targets(non-human)

Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Shigella dysenteriae (933 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brucella abortus (80 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhi (4293 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Listeria monocytogenes (2626 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 231.61Molecular Weight (Monoisotopic): 231.0098AlogP: 1.69#Rotatable Bonds: 3
Polar Surface Area: 69.89Molecular Species: ACIDHBA: 3HBD: 2
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 2.99CX Basic pKa: 1.58CX LogP: 1.61CX LogD: -2.07
Aromatic Rings: 1Heavy Atoms: 15QED Weighted: 0.78Np Likeness Score: -1.04

References

1. Sar N, Piskin N, Ogutcu H, Kurnaz N.  (2013)  Spectroscopic characterization of novel d-amino acid-Schiff bases and their Cr(III) and Ni(II) complexes as antimicrobial agents,  22  (2): [10.1007/s00044-012-0039-5]

Source