| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4445400
Max Phase: Preclinical
Molecular Formula: C14H12O3
Molecular Weight: 228.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Oc1cccc(/C=C/c2ccc(O)cc2O)c1
Standard InChI: InChI=1S/C14H12O3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9,15-17H/b5-4+
Standard InChI Key: NAAOQSKJMNPWMU-SNAWJCMRSA-N
Associated Targets(non-human)
Tyrosinase 438 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 228.25 | Molecular Weight (Monoisotopic): 228.0786 | AlogP: 2.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 60.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.62 | CX Basic pKa: | CX LogP: 3.40 | CX LogD: 3.38 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.69 | Np Likeness Score: 0.78 |
References
| 1. Pillaiyar T, Namasivayam V, Manickam M, Jung SH.. (2018) Inhibitors of Melanogenesis: An Updated Review., 61 (17): [PMID:29763564] [10.1021/acs.jmedchem.7b00967] |
Source
Source(1):