| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4464748
Max Phase: Preclinical
Molecular Formula: C2H7NO2S2
Molecular Weight: 141.22
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N[C@@H](CS)[S+]([O-])O
Standard InChI: InChI=1S/C2H7NO2S2/c3-2(1-6)7(4)5/h2,6H,1,3H2,(H,4,5)/t2-/m1/s1
Standard InChI Key: QDYOZKNUWCMVJZ-UWTATZPHSA-N
Associated Targets(non-human)
Dihydrodipicolinate synthase 65 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: 141.22 | Molecular Weight (Monoisotopic): 140.9918 | AlogP: -0.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.31 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.32 | CX Basic pKa: 6.87 | CX LogP: -1.77 | CX LogD: -1.28 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.36 | Np Likeness Score: 0.20 |
References
| 1. (2019) 10 (9): [10.1039/C9MD00107G] |
Source
Source(1):