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[125I](+/-)-3-(4'-Iodonaphthoxy)-1-(isopropylamino)propan-2-ol ID: ALA3277289
Chembl Id: CHEMBL3277289
PubChem CID: 12438643
Max Phase: Preclinical
Molecular Formula: C16H20INO2
Molecular Weight: 385.25
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(C)NCC(O)COc1ccc([125I])c2ccccc12
Standard InChI: InChI=1S/C16H20INO2/c1-11(2)18-9-12(19)10-20-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-8,11-12,18-19H,9-10H2,1-2H3/i17-2
Standard InChI Key: XRKPNDXSCNFPNT-QZIRHQCUSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 385.25Molecular Weight (Monoisotopic): 385.0539AlogP: 3.18#Rotatable Bonds: 6Polar Surface Area: 41.49Molecular Species: BASEHBA: 3HBD: 2#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.67CX LogP: 3.51CX LogD: 1.29Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.75Np Likeness Score: -0.49
References 1. Hanson RN, Holman BL, Davis MA.. (1978) Synthesis and biologic distribution of radioiodinated beta-adrenergic antagonists., 21 (8): [PMID:29126 ] [10.1021/jm00206a025 ]
