1-(4-phenoxybenzyl)guanidine

ID: ALA5268621

Chembl Id: CHEMBL5268621

Max Phase: Preclinical

Molecular Formula: C14H15N3O

Molecular Weight: 241.29

Associated Items:

Names and Identifiers

Canonical SMILES:  N=C(N)NCc1ccc(Oc2ccccc2)cc1

Standard InChI:  InChI=1S/C14H15N3O/c15-14(16)17-10-11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-9H,10H2,(H4,15,16,17)

Standard InChI Key:  IMCAXVURDNJQFD-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5268621

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Associated Targets(Human)

AGO2 Tbio Protein argonaute-2 (21 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: 241.29Molecular Weight (Monoisotopic): 241.1215AlogP: 2.46#Rotatable Bonds: 4
Polar Surface Area: 71.13Molecular Species: BASEHBA: 2HBD: 3
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 4#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 11.87CX LogP: 2.27CX LogD: -0.15
Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.57Np Likeness Score: -0.54

References

1. Van Meter EN, Onyango JA, Teske KA..  (2020)  A review of currently identified small molecule modulators of microRNA function.,  188  [PMID:31931338] [10.1016/j.ejmech.2019.112008]

Source