| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2009370
Max Phase: Preclinical
Molecular Formula: C9H11N3OS2
Molecular Weight: 241.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1n/c(=N/Cc2ccco2)ss1
Standard InChI: InChI=1S/C9H11N3OS2/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7/h3-5H,6H2,1-2H3/b10-8-
Standard InChI Key: IIINLXGWSVXPIL-NTMALXAHSA-N
Associated Targets(Human)
NAD(+) hydrolase SARM1 87 Activities
Associated Targets(non-human)
NAD(+) hydrolase SARM1 23 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: 241.34 | Molecular Weight (Monoisotopic): 241.0344 | AlogP: 1.96 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.63 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.83 | CX LogP: 2.32 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.77 | Np Likeness Score: -1.23 |
References
| 1. (2018) INHIBITORS OF SARM1 NADase ACTIVITY AND USES THEREOF, |
Source
Source(1):