bis(6-methoxybenzo[b]furan-2-yl)methanone

ID: ALA225825

PubChem CID: 13393483

Max Phase: Preclinical

Molecular Formula: C19H14O5

Molecular Weight: 322.32

Molecule Type: Small molecule

Associated Items:

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES:  COc1ccc2cc(C(=O)c3cc4ccc(OC)cc4o3)oc2c1

Standard InChI:  InChI=1S/C19H14O5/c1-21-13-5-3-11-7-17(23-15(11)9-13)19(20)18-8-12-4-6-14(22-2)10-16(12)24-18/h3-10H,1-2H3

Standard InChI Key:  GLWSZUBTLXLVPC-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

Associated Targets(Human)

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Pdgfrb Platelet-derived growth factor receptor beta (494 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: 322.32Molecular Weight (Monoisotopic): 322.0841AlogP: 4.43#Rotatable Bonds: 4
Polar Surface Area: 61.81Molecular Species: NEUTRALHBA: 5HBD:
#RO5 Violations: HBA (Lipinski): 5HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.28CX LogD: 3.28
Aromatic Rings: 4Heavy Atoms: 24QED Weighted: 0.52Np Likeness Score: -0.14

References

1. Mahboobi S, Uecker A, Cénac C, Sellmer A, Eichhorn E, Elz S, Böhmer FD, Dove S..  (2007)  Inhibition of FLT3 and PDGFR tyrosine kinase activity by bis(benzo[b]furan-2-yl)methanones.,  15  (5): [PMID:17210255] [10.1016/j.bmc.2006.12.011]

Source