ID: ALA4645403
Chembl Id: CHEMBL4645403
PubChem CID: 154697608
Max Phase: Preclinical
Molecular Formula: C15H10FNS
Molecular Weight: 255.32
Molecule Type: Unknown
Associated Items:
Canonical SMILES: Fc1ccc(Sc2nccc3ccccc23)cc1
Standard InChI: InChI=1S/C15H10FNS/c16-12-5-7-13(8-6-12)18-15-14-4-2-1-3-11(14)9-10-17-15/h1-10H
Standard InChI Key: NBJDMDIPZFSYCZ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 255.32 | Molecular Weight (Monoisotopic): 255.0518 | AlogP: 4.53 | #Rotatable Bonds: 2 |
| Polar Surface Area: 12.89 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.14 | CX LogP: 4.67 | CX LogD: 4.67 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.67 | Np Likeness Score: -1.45 |
| 1. Ahn SH, Hwang KS, Shin DS, Kim SS, Yang JY, Lee BH, Bae EJ, Choi BW, Bae MA, Ahn JH.. (2020) Identification of new arylsulfide derivatives as anti-melanogenic agents in a zebrafish model., 30 (13): [PMID:32386982] [10.1016/j.bmcl.2020.127201] |
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