ID: ALA1088864
Chembl Id: CHEMBL1088864
PubChem CID: 46830290
Max Phase: Preclinical
Molecular Formula: C5H8FNO2
Molecular Weight: 133.12
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: N[C@@]1(C(=O)O)CC[C@@H]1[18F]
Standard InChI: InChI=1S/C5H8FNO2/c6-3-1-2-5(3,7)4(8)9/h3H,1-2,7H2,(H,8,9)/t3-,5-/m0/s1/i6-1
Standard InChI Key: FTLDEIVHFOUQDY-AYVZGJQCSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 133.12 | Molecular Weight (Monoisotopic): 133.0539 | AlogP: -0.10 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.32 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 2.05 | CX Basic pKa: 8.40 | CX LogP: -2.45 | CX LogD: -2.49 |
| Aromatic Rings: ┄ | Heavy Atoms: 9 | QED Weighted: 0.52 | Np Likeness Score: 0.75 |
| 1. Yu W, Williams L, Camp VM, Olson JJ, Goodman MM.. (2010) Synthesis and biological evaluation of anti-1-amino-2-[18F]fluoro-cyclobutyl-1-carboxylic acid (anti-2-[18F]FACBC) in rat 9L gliosarcoma., 20 (7): [PMID:20207538] [10.1016/j.bmcl.2010.02.048] |
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