| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3977936
Max Phase: Preclinical
Molecular Formula: C15H10N2O4
Molecular Weight: 282.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c(O)c(=O)n2c3ccccc3c3cc(O)nc1c32
Standard InChI: InChI=1S/C15H10N2O4/c1-21-14-11-12-8(6-10(18)16-11)7-4-2-3-5-9(7)17(12)15(20)13(14)19/h2-6,19H,1H3,(H,16,18)
Standard InChI Key: MJGIXWLICDLOQN-UHFFFAOYSA-N
Associated Targets(non-human)
Meriones unguiculatus 417 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: 282.25 | Molecular Weight (Monoisotopic): 282.0641 | AlogP: 1.86 | #Rotatable Bonds: 1 |
| Polar Surface Area: 84.06 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.21 | CX Basic pKa: | CX LogP: 1.37 | CX LogD: -0.81 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.56 | Np Likeness Score: -0.22 |
References
| 1. Sasaki T, Li W, Ohmoto T, Koike K.. (2016) Evaluation of canthinone alkaloids as cerebral protective agents., 26 (20): [PMID:27623547] [10.1016/j.bmcl.2016.09.006] |
Source
Source(1):