| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277141
Max Phase: Preclinical
Molecular Formula: C19H17NO3
Molecular Weight: 307.35
Associated Items:
Representations
Canonical SMILES: CC1(C)CCc2c(ccc3c2O/C(=C\c2ccccn2)C3=O)O1
Standard InChI: InChI=1S/C19H17NO3/c1-19(2)9-8-13-15(23-19)7-6-14-17(21)16(22-18(13)14)11-12-5-3-4-10-20-12/h3-7,10-11H,8-9H2,1-2H3/b16-11-
Standard InChI Key: MASLDMMCJNQSKH-WJDWOHSUSA-N
Associated Targets(non-human)
Nitric oxide synthase, inducible 3573 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: 307.35 | Molecular Weight (Monoisotopic): 307.1208 | AlogP: 3.80 | #Rotatable Bonds: 1 |
| Polar Surface Area: 48.42 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.89 | CX LogP: 3.24 | CX LogD: 3.24 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.75 | Np Likeness Score: 0.12 |
References
| 1. Sui G, Li T, Zhang B, Wang R, Hao H, Zhou W.. (2021) Recent advances on synthesis and biological activities of aurones., 29 [PMID:33271454] [10.1016/j.bmc.2020.115895] |
Source
Source(1):