| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4743169
Max Phase: Preclinical
Molecular Formula: C26H38IN3S
Molecular Weight: 424.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCc1cc2nc3ccc(N(C)C)cc3sc-2cc1=[N+](C)C.[I-]
Standard InChI: InChI=1S/C26H38N3S.HI/c1-6-7-8-9-10-11-12-13-14-20-17-23-26(19-24(20)29(4)5)30-25-18-21(28(2)3)15-16-22(25)27-23;/h15-19H,6-14H2,1-5H3;1H/q+1;/p-1
Standard InChI Key: NKKSMGBLSBGYPD-UHFFFAOYSA-M
Associated Targets(Human)
Lymphocyte 105 Activities
Molecule Features
| 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 |
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 |
|---|
Properties
| Molecular Weight: 424.68 | Molecular Weight (Monoisotopic): 424.2781 | AlogP: 6.18 | #Rotatable Bonds: 10 |
| Polar Surface Area: 19.14 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.12 | CX LogP: 3.78 | CX LogD: 3.78 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.22 | Np Likeness Score: -0.85 |
References
| 1. Liu J,Bandyopadhyay I,Zheng L,Khdour OM,Hecht SM. (2020) Antiferroptotic Activity of Phenothiazine Analogues: A Novel Therapeutic Strategy for Oxidative Stress Related Disease., 11 (11): [PMID:33214825] [10.1021/acsmedchemlett.0c00293] |
Source
Source(1):