ID: ALA1077105
Chembl Id: CHEMBL1077105
PubChem CID: 44819739
Max Phase: Preclinical
Molecular Formula: C4H9ClFNO2
Molecular Weight: 121.11
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C[C@](N)(CF)C(=O)O.Cl
Standard InChI: InChI=1S/C4H8FNO2.ClH/c1-4(6,2-5)3(7)8;/h2,6H2,1H3,(H,7,8);1H/t4-;/m0./s1
Standard InChI Key: ZUDVGZWNRJLVDV-WCCKRBBISA-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: 121.11 | Molecular Weight (Monoisotopic): 121.0539 | AlogP: -0.24 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.32 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 2.15 | CX Basic pKa: 8.52 | CX LogP: -2.56 | CX LogD: -2.59 |
| Aromatic Rings: ┄ | Heavy Atoms: 8 | QED Weighted: 0.53 | Np Likeness Score: 0.39 |
| 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] |
Source(1):
