| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5206705
Max Phase: Preclinical
Molecular Formula: C27H15F2N5O2
Molecular Weight: 479.45
Associated Items:
Representations
Canonical SMILES: Nc1c(-c2ccccc2)ncc2c1C(=O)c1c(-c3ccccn3)nn(-c3ccc(F)cc3F)c1C2=O
Standard InChI: InChI=1S/C27H15F2N5O2/c28-15-9-10-19(17(29)12-15)34-25-21(24(33-34)18-8-4-5-11-31-18)27(36)20-16(26(25)35)13-32-23(22(20)30)14-6-2-1-3-7-14/h1-13H,30H2
Standard InChI Key: QVZNCZGSGCHKHK-UHFFFAOYSA-N
Associated Targets(Human)
GBM 188 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 479.45 | Molecular Weight (Monoisotopic): 479.1194 | AlogP: 4.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 103.76 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.48 | CX LogP: 5.05 | CX LogD: 5.05 |
| Aromatic Rings: 5 | Heavy Atoms: 36 | QED Weighted: 0.40 | Np Likeness Score: -0.83 |
References
| 1. Zhang L, Zhang G, Xu S, Song Y.. (2021) Recent advances of quinones as a privileged structure in drug discovery., 223 [PMID:34153576] [10.1016/j.ejmech.2021.113632] |
Source
Source(1):