6-Methyl-6H-1-oxa-6-aza-cyclopenta[c]fluorene-2-carboxylic acid ethyl ester

ID: ALA431939

Chembl Id: CHEMBL431939

PubChem CID: 10661385

Max Phase: Preclinical

Molecular Formula: C18H15NO3

Molecular Weight: 293.32

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCOC(=O)c1cc2ccc3c(c4ccccc4n3C)c2o1

Standard InChI:  InChI=1S/C18H15NO3/c1-3-21-18(20)15-10-11-8-9-14-16(17(11)22-15)12-6-4-5-7-13(12)19(14)2/h4-10H,3H2,1-2H3

Standard InChI Key:  XBBTXGXDXBAMBX-UHFFFAOYSA-N

Alternative Forms

Associated Targets(non-human)

Murine-murine hybridoma (mark 3) (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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: 293.32Molecular Weight (Monoisotopic): 293.1052AlogP: 4.25#Rotatable Bonds: 2
Polar Surface Area: 44.37Molecular Species: NEUTRALHBA: 4HBD:
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.75CX LogD: 3.75
Aromatic Rings: 4Heavy Atoms: 22QED Weighted: 0.52Np Likeness Score: -0.44

References

1. Ostrovidov S, Franck P, Joseph D, Martarello L, Kirsch G, Belleville F, Nabet P, Dousset B..  (2000)  Screening of new antioxidant molecules using flow cytometry.,  43  (9): [PMID:10794693] [10.1021/jm991019j]

Source