| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2335072
Max Phase: Preclinical
Molecular Formula: C8H10FN3
Molecular Weight: 167.19
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): P-[18F]Fluorobenzylguanidine
Synonyms from Alternative Forms(1):
Canonical SMILES: N=C(N)NCc1ccc([18F])cc1
Standard InChI: InChI=1S/C8H10FN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-1
Standard InChI Key: DDTYPUJUKWPXSK-RVRFMXCPSA-N
Associated Targets(non-human)
Heart 1007 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 167.19 | Molecular Weight (Monoisotopic): 167.0859 | AlogP: 0.81 | #Rotatable Bonds: 2 |
| Polar Surface Area: 61.90 | Molecular Species: BASE | HBA: 1 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 12.12 | CX LogP: 0.91 | CX LogD: -1.51 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.45 | Np Likeness Score: -1.12 |
References
| 1. Jang KS, Jung YW, Sherman PS, Quesada CA, Gu G, Raffel DM.. (2013) Synthesis and bioevaluation of [(18)F]4-fluoro-m-hydroxyphenethylguanidine ([(18)F]4F-MHPG): a novel radiotracer for quantitative PET studies of cardiac sympathetic innervation., 23 (6): [PMID:23416009] [10.1016/j.bmcl.2013.01.106] |
Source
Source(1):