The store will not work correctly when cookies are disabled.
ID: ALA3214608
Max Phase: Preclinical
Molecular Formula: C11H15N3O2S
Molecular Weight: 253.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)C(=O)C(=O)N/N=C/c1cccs1
Standard InChI: InChI=1S/C11H15N3O2S/c1-3-14(4-2)11(16)10(15)13-12-8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15)/b12-8+
Standard InChI Key: KZMLKMMGCXDMIM-XYOKQWHBSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 253.33 | Molecular Weight (Monoisotopic): 253.0885 | AlogP: 1.07 | #Rotatable Bonds: 4 |
| Polar Surface Area: 61.77 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.93 | CX Basic pKa: 0.64 | CX LogP: 1.34 | CX LogD: 1.34 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.50 | Np Likeness Score: -2.64 |
References
| 1. PubChem BioAssay data set, |
