3-benzyl-5-(dibromoacetyl)benzamide

ID: ALA265472

Chembl Id: CHEMBL265472

PubChem CID: 44450535

Max Phase: Preclinical

Molecular Formula: C16H13Br2NO2

Molecular Weight: 411.09

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  NC(=O)c1cc(Cc2ccccc2)cc(C(=O)C(Br)Br)c1

Standard InChI:  InChI=1S/C16H13Br2NO2/c17-15(18)14(20)12-7-11(8-13(9-12)16(19)21)6-10-4-2-1-3-5-10/h1-5,7-9,15H,6H2,(H2,19,21)

Standard InChI Key:  FGHDUVPHISFKTE-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

protease Human rhinovirus A protease (1343 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: 411.09Molecular Weight (Monoisotopic): 408.9313AlogP: 3.67#Rotatable Bonds: 5
Polar Surface Area: 60.16Molecular Species: NEUTRALHBA: 2HBD: 1
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 13.87CX Basic pKa: CX LogP: 3.18CX LogD: 3.18
Aromatic Rings: 2Heavy Atoms: 21QED Weighted: 0.60Np Likeness Score: -0.28

References

1. Maugeri C, Alisi MA, Apicella C, Cellai L, Dragone P, Fioravanzo E, Florio S, Furlotti G, Mangano G, Ombrato R, Luisi R, Pompei R, Rincicotti V, Russo V, Vitiello M, Cazzolla N..  (2008)  New anti-viral drugs for the treatment of the common cold.,  16  (6): [PMID:18248816] [10.1016/j.bmc.2007.12.030]

Source