| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1472548
Max Phase: Preclinical
Molecular Formula: C18H13NOS3
Molecular Weight: 355.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CSc1cccs1)N1c2ccccc2Sc2ccccc21
Standard InChI: InChI=1S/C18H13NOS3/c20-17(12-22-18-10-5-11-21-18)19-13-6-1-3-8-15(13)23-16-9-4-2-7-14(16)19/h1-11H,12H2
Standard InChI Key: XMLIEGHFZWARLE-UHFFFAOYSA-N
Associated Targets(non-human)
Streptokinase A 5805 Activities
Streptococcus 3973 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: 355.51 | Molecular Weight (Monoisotopic): 355.0159 | AlogP: 5.67 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.24 | CX Basic pKa: | CX LogP: 4.89 | CX LogD: 4.89 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.56 | Np Likeness Score: -1.46 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):