ID: ALA277281
Max Phase: Preclinical
Molecular Formula: C14H9N3O3
Molecular Weight: 267.24
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)c1cn2c3c(nc(O)c2n1)-c1ccccc1C3
Standard InChI: InChI=1S/C14H9N3O3/c18-13-12-15-9(14(19)20)6-17(12)10-5-7-3-1-2-4-8(7)11(10)16-13/h1-4,6H,5H2,(H,16,18)(H,19,20)
Standard InChI Key: HXIOSGFYAZOYOJ-UHFFFAOYSA-N
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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 |
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| Molecular Weight: 267.24 | Molecular Weight (Monoisotopic): 267.0644 | AlogP: 1.70 | #Rotatable Bonds: 1 |
| Polar Surface Area: 87.72 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.17 | CX Basic pKa: 0.16 | CX LogP: 1.79 | CX LogD: -1.74 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.55 | Np Likeness Score: -0.44 |
| 1. Stutzmann JM, Bohme GA, Boireau A, Damour D, Debono MW, Genevois-Borella A, Imperato A, Jimonet P, Pratt J, Randle JC, Ribeill Y, Vuilhorgne M, Mignani S.. (2000) 4,10-Dihydro-4-oxo-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-2-carboxylic acid derivatives: highly potent and selective AMPA receptors antagonists with in vivo activity., 10 (10): [PMID:10843235] [10.1016/s0960-894x(00)00181-5] |
| 2. Stutzmann JM, Bohme GA, Boireau A, Damour D, Debono MW, Genevois-Borella A, Jimonet P, Pratt J, Randle JC, Ribeill Y, Vuilhorgne M, Mignani S.. (2001) Synthesis of anticonvulsive AMPA antagonists: 4-oxo-10-substituted-imidaz., 11 (9): [PMID:11354378] [10.1016/s0960-894x(01)00180-9] |
| 3. Pratt J, Jimonet P, Bohme GA, Boireau A, Damour D, Debono MW, Genevois-Borella A, Randle JC, Ribeill Y, Stutzmann JM, Vuilhorgne M, Mignani S.. (2000) Synthesis and potent anticonvulsant activities of 4-oxo-imidazo[1,2-a]inden., 10 (24): [PMID:11133083] [10.1016/s0960-894x(00)00561-8] |
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