| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3922463
Max Phase: Preclinical
Molecular Formula: C16H10Br2N2O3
Molecular Weight: 438.07
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c2n(C)ccc3c-2n(c(=O)c1=O)c1c(Br)cc(Br)cc31
Standard InChI: InChI=1S/C16H10Br2N2O3/c1-19-4-3-8-9-5-7(17)6-10(18)11(9)20-12(8)13(19)15(23-2)14(21)16(20)22/h3-6H,1-2H3
Standard InChI Key: JIIOXXNPXZNGJJ-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: 438.07 | Molecular Weight (Monoisotopic): 435.9058 | AlogP: 3.23 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.71 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.86 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.43 | Np Likeness Score: 0.01 |
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):