| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2409526
Max Phase: Preclinical
Molecular Formula: C10H7NO4S
Molecular Weight: 237.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NC(=O)/C(=C/c2ccc(O)cc2O)S1
Standard InChI: InChI=1S/C10H7NO4S/c12-6-2-1-5(7(13)4-6)3-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15)/b8-3-
Standard InChI Key: CPVBTHMWQGHRIR-BAQGIRSFSA-N
Associated Targets(non-human)
B16-F10 4610 Activities
Tyrosinase 438 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 237.24 | Molecular Weight (Monoisotopic): 237.0096 | AlogP: 1.42 | #Rotatable Bonds: 1 |
| Polar Surface Area: 86.63 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.20 | CX Basic pKa: | CX LogP: 1.24 | CX LogD: 0.08 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.64 | Np Likeness Score: -0.48 |
References
| 1. Kim SH, Choi YJ, Moon KM, Lee HJ, Woo Y, Chung KW, Jung Y, Kim S, Chun P, Byun Y, Ha YM, Moon HR, Chung HY.. (2013) The inhibitory effect of a synthetic compound, (Z)-5-(2,4-dihydroxybenzylidene) thiazolidine-2,4-dione (MHY498), on nitric oxide-induced melanogenesis., 23 (15): [PMID:23806552] [10.1016/j.bmcl.2013.05.094] |
Source
Source(1):