| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA344523
Max Phase: Preclinical
Molecular Formula: C10H6N4O2
Molecular Weight: 214.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc2c([nH]1)C(=O)c1nccnc1C2=O
Standard InChI: InChI=1S/C10H6N4O2/c1-4-13-7-8(14-4)10(16)6-5(9(7)15)11-2-3-12-6/h2-3H,1H3,(H,13,14)
Standard InChI Key: JYEMZZSKAJIUQX-UHFFFAOYSA-N
Associated Targets(Human)
PC-14 387 Activities
MKN-45 2102 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 214.18 | Molecular Weight (Monoisotopic): 214.0491 | AlogP: 0.28 | #Rotatable Bonds: 0 |
| Polar Surface Area: 88.60 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.33 | CX Basic pKa: 3.59 | CX LogP: -0.43 | CX LogD: -0.71 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.58 | Np Likeness Score: -0.20 |
References
| 1. Yoo HW, Suh ME, Park SW.. (1998) Synthesis and cytotoxicity of 2-methyl-4, 9-dihydro-1-substituted-1H-imidazo[4,5-g]quinoxaline-4,9-diones and 2,3-disubstituted-5,10-pyrazino[2,3-g]quinoxalinediones., 41 (24): [PMID:9822542] [10.1021/jm970695n] |
Source
Source(1):