| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3765143
Max Phase: Preclinical
Molecular Formula: C15H25NO4
Molecular Weight: 283.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C(C(C)C)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
Standard InChI: InChI=1S/C15H25NO4/c1-8(2)10(5)13(17)11(6)14(18)16-12(9(3)4)7-20-15(16)19/h8-9,11-13,17H,5,7H2,1-4,6H3/t11-,12+,13+/m0/s1
Standard InChI Key: DFGMZWAGBSSONI-YNEHKIRRSA-N
Associated Targets(Human)
HepG2 (196354 Activities)
IL6ST Tclin Interleukin-6 receptor subunit beta (58 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 283.37 | Molecular Weight (Monoisotopic): 283.1784 | AlogP: 2.20 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.84 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.79 | Np Likeness Score: 0.75 |
References
| 1. Singh S, Gajulapati V, Gajulapati K, Goo JI, Park YH, Jung HY, Lee SY, Choi JH, Kim YK, Lee K, Heo TH, Choi Y.. (2016) Structure-activity relationship study of a series of novel oxazolidinone derivatives as IL-6 signaling blockers., 26 (4): [PMID:26810262] [10.1016/j.bmcl.2016.01.016] |
Source
Source(1):