| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA55877
Max Phase: Preclinical
Molecular Formula: C10H14N2O3S
Molecular Weight: 242.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1csc(C2CC(CO)C2CO)n1
Standard InChI: InChI=1S/C10H14N2O3S/c11-9(15)8-4-16-10(12-8)6-1-5(2-13)7(6)3-14/h4-7,13-14H,1-3H2,(H2,11,15)
Standard InChI Key: YJAVNLLGOSYZBN-UHFFFAOYSA-N
Associated Targets(non-human)
Nerve growth factor receptor Trk-A 41 Activities
PC-12 7051 Activities
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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: 242.30 | Molecular Weight (Monoisotopic): 242.0725 | AlogP: -0.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 96.44 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.06 | CX LogP: -0.93 | CX LogD: -0.93 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.69 | Np Likeness Score: 0.60 |
References
| 1. Kikuchi Y, Nishiyama S, Yamamura S, Kato K, Fujiwara S, Umezawa K, Terada Y. (1996) Synthesis of C-oxetanosyl-thiazole and its carbocyclic analog nucleosides as potential chemotherapeutic agents, 6 (16): [10.1016/0960-894X(96)00340-X] |
Source
Source(1):