| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4586021
Max Phase: Preclinical
Molecular Formula: C11H16N6O6S
Molecular Weight: 360.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Standard InChI: InChI=1S/C11H16N6O6S/c1-4-6-9(12)14-3-15-10(6)17(16-4)11-8(19)7(18)5(23-11)2-22-24(13,20)21/h3,5,7-8,11,18-19H,2H2,1H3,(H2,12,14,15)(H2,13,20,21)/t5-,7-,8-,11-/m1/s1
Standard InChI Key: UZNNSZLBPUZAHJ-IOSLPCCCSA-N
Associated Targets(Human)
Ubiquitin-like modifier-activating enzyme ATG7 562 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: 360.35 | Molecular Weight (Monoisotopic): 360.0852 | AlogP: -2.44 | #Rotatable Bonds: 4 |
| Polar Surface Area: 188.70 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 12 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.30 | CX Basic pKa: 3.75 | CX LogP: -2.54 | CX LogD: -2.54 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.46 | Np Likeness Score: 0.08 |
References
| 1. (2018) Atg7 inhibitors and the uses thereof, |
Source
Source(1):