| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4165272
Max Phase: Preclinical
Molecular Formula: C11H9N3S
Molecular Weight: 215.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1c2ccncc2Sc2ccncc21
Standard InChI: InChI=1S/C11H9N3S/c1-14-8-2-4-13-7-11(8)15-10-3-5-12-6-9(10)14/h2-7H,1H3
Standard InChI Key: BSOSSPFXDBGTQT-UHFFFAOYSA-N
Associated Targets(Human)
UO-31 46270 Activities
EKVX 44102 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 |
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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: 215.28 | Molecular Weight (Monoisotopic): 215.0517 | AlogP: 2.71 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.02 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.12 | CX LogP: 1.42 | CX LogD: 1.26 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.68 | Np Likeness Score: -0.99 |
References
| 1. Pluta K, Jeleń M, Morak-Młodawska B, Zimecki M, Artym J, Kocięba M, Zaczyńska E.. (2017) Azaphenothiazines - promising phenothiazine derivatives. An insight into nomenclature, synthesis, structure elucidation and biological properties., 138 [PMID:28734245] [10.1016/j.ejmech.2017.07.009] |
Source
Source(1):