ID: ALA1085170
Chembl Id: CHEMBL1085170
PubChem CID: 44819742
Max Phase: Preclinical
Molecular Formula: C5H11ClFNO2
Molecular Weight: 135.14
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN[C@@](C)(CF)C(=O)O.Cl
Standard InChI: InChI=1S/C5H10FNO2.ClH/c1-5(3-6,7-2)4(8)9;/h7H,3H2,1-2H3,(H,8,9);1H/t5-;/m0./s1
Standard InChI Key: REPGUCMGBPAHKN-JEDNCBNOSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 135.14 | Molecular Weight (Monoisotopic): 135.0696 | AlogP: 0.02 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.33 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 1.88 | CX Basic pKa: 8.97 | CX LogP: -2.34 | CX LogD: -2.35 |
| Aromatic Rings: ┄ | Heavy Atoms: 9 | QED Weighted: 0.57 | Np Likeness Score: 0.09 |
| 1. Yu W, McConathy J, Williams L, Camp VM, Malveaux EJ, Zhang Z, Olson JJ, Goodman MM.. (2010) Synthesis, radiolabeling, and biological evaluation of (R)- and (S)-2-amino-3-[(18)F]fluoro-2-methylpropanoic acid (FAMP) and (R)- and (S)-3-[(18)F]fluoro-2-methyl-2-N-(methylamino)propanoic acid (NMeFAMP) as potential PET radioligands for imaging brain tumors., 53 (2): [PMID:20028004] [10.1021/jm900556s] |
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