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3,5-Dichloro-N-(3,4-dichloro-phenyl)-4-hydroxy-benzamide

ID: ALA56781

Chembl Id: CHEMBL56781

PubChem CID: 44300581

Max Phase: Preclinical

Molecular Formula: C13H7Cl4NO2

Molecular Weight: 351.02

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

Standard InChI: InChI=1S/C13H7Cl4NO2/c14-8-2-1-7(5-9(8)15)18-13(20)6-3-10(16)12(19)11(17)4-6/h1-5,19H,(H,18,20)

Standard InChI Key: CSSPRVUSIKJSLW-UHFFFAOYSA-N

Parent:

ALA56781
3,5-dichloro-N-(3,4-dichlorophenyl)-4-hydroxybenzamide

spo0F KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) (79 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

Enterococcus faecalis (29875 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterococcus faecium (13803 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 351.02	Molecular Weight (Monoisotopic): 348.9231	AlogP: 5.26	#Rotatable Bonds: 2
Polar Surface Area: 49.33	Molecular Species: ACID	HBA: 2	HBD: 2
#RO5 Violations: 1	HBA (Lipinski): 3	HBD (Lipinski): 2	#RO5 Violations (Lipinski): 1
CX Acidic pKa: 5.68	CX Basic pKa: ┄	CX LogP: 5.18	CX LogD: 3.62
Aromatic Rings: 2	Heavy Atoms: 20	QED Weighted: 0.78	Np Likeness Score: -1.35

1. Hlasta DJ, Demers JP, Foleno BD, Fraga-Spano SA, Guan J, Hilliard JJ, Macielag MJ, Ohemeng KA, Sheppard CM, Sui Z, Webb GC, Weidner-Wells MA, Werblood H, Barrett JF.. (1998) Novel inhibitors of bacterial two-component systems with gram positive antibacterial activity: pharmacophore identification based on the screening hit closantel., 8 (14): [PMID:9873460] [10.1016/s0960-894x(98)00326-6]

Source(1):