| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2368476
Max Phase: Preclinical
Molecular Formula: C17H28O4S
Molecular Weight: 328.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCS[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Standard InChI: InChI=1S/C17H28O4S/c1-5-22-14-11(3)13-7-6-10(2)12-8-9-16(4)19-15(18-14)17(12,13)21-20-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16+,17-/m1/s1
Standard InChI Key: LSTVIQWGCBMICO-VBGZEHGNSA-N
Associated Targets(non-human)
Gallus gallus 1187 Activities
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: 328.47 | Molecular Weight (Monoisotopic): 328.1708 | AlogP: 3.95 | #Rotatable Bonds: 2 |
| Polar Surface Area: 36.92 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.45 | CX LogD: 4.45 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.72 | Np Likeness Score: 2.85 |
References
| 1. Jung M, Tak J, Chung WY, Park KK.. (2006) Antiangiogenic activity of deoxoartemisinin derivatives on chorioallantoic membrane., 16 (5): [PMID:16380253] [10.1016/j.bmcl.2005.11.074] |
Source
Source(1):