Standard InChI: InChI=1S/C16H10ClNO/c17-15-8-6-14(7-9-15)16(19)10-5-12-1-3-13(11-18)4-2-12/h1-10H/b10-5+
Standard InChI Key: KSPUPHDQJGCQCN-BJMVGYQFSA-N
Associated Targets(non-human)
Candida albicans 78123 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Staphylococcus aureus 210822 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Escherichia coli 133304 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Saccharomyces cerevisiae 19171 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Ogataea angusta 372 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Kluyveromyces lactis 70 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Properties
Molecular Weight: 267.71
Molecular Weight (Monoisotopic): 267.0451
AlogP: 4.11
#Rotatable Bonds: 3
Polar Surface Area: 40.86
Molecular Species:
HBA: 2
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 2
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 4.35
CX LogD: 4.35
Aromatic Rings: 2
Heavy Atoms: 19
QED Weighted: 0.62
Np Likeness Score: -0.91
References
1.Batovska D, Parushev S, Slavova A, Bankova V, Tsvetkova I, Ninova M, Najdenski H.. (2007) Study on the substituents' effects of a series of synthetic chalcones against the yeast Candida albicans., 42 (1):[PMID:17007965][10.1016/j.ejmech.2006.08.012]
2.Lahtchev KL, Batovska DI, Parushev SP, Ubiyvovk VM, Sibirny AA.. (2008) Antifungal activity of chalcones: a mechanistic study using various yeast strains., 43 (10):[PMID:18280009][10.1016/j.ejmech.2007.12.027]
3.Batovska D, Parushev S, Stamboliyska B, Tsvetkova I, Ninova M, Najdenski H.. (2009) Examination of growth inhibitory properties of synthetic chalcones for which antibacterial activity was predicted., 44 (5):[PMID:18584918][10.1016/j.ejmech.2008.05.010]
