| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3274494
Max Phase: Preclinical
Molecular Formula: C15H10N2O2
Molecular Weight: 250.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N[11C](=O)C2(N1)c1ccccc1-c1ccccc12
Standard InChI: InChI=1S/C15H10N2O2/c18-13-15(17-14(19)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H2,16,17,18,19)/i13-1
Standard InChI Key: SCDXMQOKVWBFBD-HSGWXFLFSA-N
Associated Targets(non-human)
Brain 70 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: 250.26 | Molecular Weight (Monoisotopic): 250.0742 | AlogP: 1.75 | #Rotatable Bonds: 0 |
| Polar Surface Area: 58.20 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.49 | CX Basic pKa: | CX LogP: 1.82 | CX LogD: 1.79 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.70 | Np Likeness Score: -0.12 |
References
| 1. Winstead MB, Parr SJ, Rogal MJ, Brockman PS, Lubcher R, Khentigan A, Lin TH, Lamb JF, Winchell HS.. (1976) Relationship of molecular structure to in vivo scintigraphic distribution patterns of carbon-11 labeled compounds. 3. (11C)Hydantoins., 19 (2): [PMID:1249808] [10.1021/jm00224a015] |
Source
Source(1):