ID: ALA296757
Chembl Id: CHEMBL296757
PubChem CID: 15286988
Max Phase: Preclinical
Molecular Formula: C14H9NS
Molecular Weight: 223.30
Molecule Type: Small molecule
Associated Items:
Synonyms: 10H-Thieno[3,2-A]Carbazole | 10H-Thieno[3,2-a]carbazole|benzo[b]thiophenoindole|CHEMBL296757|SCHEMBL2042537
Canonical SMILES: c1ccc2c(c1)[nH]c1c3ccsc3ccc21
Standard InChI: InChI=1S/C14H9NS/c1-2-4-12-9(3-1)10-5-6-13-11(7-8-16-13)14(10)15-12/h1-8,15H
Standard InChI Key: DLYCQVMEMCMHQL-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: Small molecule | 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 223.30 | Molecular Weight (Monoisotopic): 223.0456 | AlogP: 4.54 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 15.79 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.97 | CX LogD: 3.97 |
| Aromatic Rings: 4 | Heavy Atoms: 16 | QED Weighted: 0.45 | Np Likeness Score: -0.80 |
| 1. Ostrovidov S, Franck P, Joseph D, Martarello L, Kirsch G, Belleville F, Nabet P, Dousset B.. (2000) Screening of new antioxidant molecules using flow cytometry., 43 (9): [PMID:10794693] [10.1021/jm991019j] |
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