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ID: ALA4088806
Max Phase: Preclinical
Molecular Formula: C8H8FNO2
Molecular Weight: 169.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@H](C(=O)O)c1ccc(F)cc1
Standard InChI: InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
Standard InChI Key: JKFYKCYQEWQPTM-ZETCQYMHSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 169.15 | Molecular Weight (Monoisotopic): 169.0539 | AlogP: 0.91 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.32 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.56 | CX Basic pKa: 8.58 | CX LogP: -1.33 | CX LogD: -1.36 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.69 | Np Likeness Score: -0.49 |
References
| 1. (2014) D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders, |
