Ethylene glycol (4-methyloxyphenyl) cyclopentylaminoethyl ether

ID: ALA5289106

Chembl Id: CHEMBL5289106

Max Phase: Preclinical

Molecular Formula: C16H25NO3

Molecular Weight: 279.38

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(OCCOCCNC2CCCC2)cc1

Standard InChI:  InChI=1S/C16H25NO3/c1-18-15-6-8-16(9-7-15)20-13-12-19-11-10-17-14-4-2-3-5-14/h6-9,14,17H,2-5,10-13H2,1H3

Standard InChI Key:  OBHNYCUXRDEKHE-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5289106

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Associated Targets(Human)

SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 279.38Molecular Weight (Monoisotopic): 279.1834AlogP: 2.62#Rotatable Bonds: 9
Polar Surface Area: 39.72Molecular Species: BASEHBA: 4HBD: 1
#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: 10.03CX LogP: 2.60CX LogD: 0.07
Aromatic Rings: 1Heavy Atoms: 20QED Weighted: 0.71Np Likeness Score: -0.71

References

1. Gao Y, Geng J, Xie Z, Zhou Z, Yang H, Yi H, Han X, Xue S, Li Z..  (2022)  Synthesis and antineoplastic activity of ethylene glycol phenyl aminoethyl ether derivatives as FOXM1 inhibitors.,  244  [PMID:36334454] [10.1016/j.ejmech.2022.114877]

Source