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4-(4-Formylphenoxy)benzamide ID: ALA4287655
Chembl Id: CHEMBL4287655
Cas Number: 676494-67-0
PubChem CID: 28825277
Max Phase: Preclinical
Molecular Formula: C14H11NO3
Molecular Weight: 241.25
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Standard InChI: InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
Standard InChI Key: FWLHRSUMHBQBMO-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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
Calculated Properties Molecular Weight: 241.25Molecular Weight (Monoisotopic): 241.0739AlogP: 2.39#Rotatable Bonds: 4Polar Surface Area: 69.39Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 2.04CX LogD: 2.04Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.84Np Likeness Score: -0.39
References 1. Murthy S, Desantis J, Verheugd P, Maksimainen MM, Venkannagari H, Massari S, Ashok Y, Obaji E, Nkizinkinko Y, Lüscher B, Tabarrini O, Lehtiö L.. (2018) 4-(Phenoxy) and 4-(benzyloxy)benzamides as potent and selective inhibitors of mono-ADP-ribosyltransferase PARP10/ARTD10., 156 [PMID:30006177 ] [10.1016/j.ejmech.2018.06.047 ]
