| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA142716
Max Phase: Preclinical
Molecular Formula: C14H12N4O2
Molecular Weight: 268.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1nc2c(nc1CC)C(=O)c1nccnc1C2=O
Standard InChI: InChI=1S/C14H12N4O2/c1-3-7-8(4-2)18-12-11(17-7)13(19)9-10(14(12)20)16-6-5-15-9/h5-6H,3-4H2,1-2H3
Standard InChI Key: FUXQHNQLIGPSAE-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: 268.28 | Molecular Weight (Monoisotopic): 268.0960 | AlogP: 1.17 | #Rotatable Bonds: 2 |
| Polar Surface Area: 85.70 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.26 | CX LogD: 1.26 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: -0.18 |
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):