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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
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 241.29Molecular Weight (Monoisotopic): 241.1215AlogP: 2.46#Rotatable Bonds: 4Polar 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: -0.15Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.57Np Likeness Score: -0.54