| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1801022
Max Phase: Preclinical
Molecular Formula: C16H11ClO4
Molecular Weight: 302.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)coc12
Standard InChI: InChI=1S/C16H11ClO4/c1-20-16-13(18)7-6-11-14(19)12(8-21-15(11)16)9-2-4-10(17)5-3-9/h2-8,18H,1H3
Standard InChI Key: GJEOIYRANHOVOO-UHFFFAOYSA-N
Associated Targets(non-human)
BDNF/NT-3 growth factors receptor 124 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: 302.71 | Molecular Weight (Monoisotopic): 302.0346 | AlogP: 3.83 | #Rotatable Bonds: 2 |
| Polar Surface Area: 59.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.04 | CX Basic pKa: | CX LogP: 3.48 | CX LogD: 2.97 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.78 | Np Likeness Score: 0.76 |
References
| 1. Liu X, Chan CB, Jang SW, Pradoldej S, Huang J, He K, Phun LH, France S, Xiao G, Jia Y, Luo HR, Ye K.. (2010) A synthetic 7,8-dihydroxyflavone derivative promotes neurogenesis and exhibits potent antidepressant effect., 53 (23): [PMID:21073191] [10.1021/jm101206p] |
Source
Source(1):