| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286203
Max Phase: Preclinical
Molecular Formula: C19H14O4
Molecular Weight: 306.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1O/C(=C\c2ccc3c(c2)OCO3)C=C1Cc1ccccc1
Standard InChI: InChI=1S/C19H14O4/c20-19-15(8-13-4-2-1-3-5-13)11-16(23-19)9-14-6-7-17-18(10-14)22-12-21-17/h1-7,9-11H,8,12H2/b16-9-
Standard InChI Key: LLMGVXJNRXPWHF-SXGWCWSVSA-N
Associated Targets(non-human)
Cytochrome b6-f complex subunit 4 179 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: 306.32 | Molecular Weight (Monoisotopic): 306.0892 | AlogP: 3.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 44.76 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.96 | CX LogD: 3.96 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: 0.74 |
References
| 1. Teixeira RR, Pinheiro PF, Barbosa LC, Carneiro JW, Forlani G.. (2010) QSAR modeling of photosynthesis-inhibiting nostoclide derivatives., 66 (2): [PMID:19798697] [10.1002/ps.1855] |
Source
Source(1):