| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4212417
Max Phase: Preclinical
Molecular Formula: C26H42O6
Molecular Weight: 450.62
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)C(C)=O)O1
Standard InChI: InChI=1S/C26H42O6/c1-16(15-26(6)25(32-26)19(4)24(30-8)20(5)27)10-9-11-17(2)23-18(3)12-13-21(31-23)14-22(28)29-7/h9-11,16,18-19,21,23-25H,12-15H2,1-8H3/b10-9+,17-11+/t16-,18+,19-,21-,23-,24-,25-,26-/m1/s1
Standard InChI Key: AUXZQOPGNPGYQX-ZIMUOAFSSA-N
Associated Targets(Human)
Splicing factor 3B subunit 1 16 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: 450.62 | Molecular Weight (Monoisotopic): 450.2981 | AlogP: 4.66 | #Rotatable Bonds: 11 |
| Polar Surface Area: 74.36 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.33 | CX LogD: 4.33 |
| Aromatic Rings: 0 | Heavy Atoms: 32 | QED Weighted: 0.26 | Np Likeness Score: 1.86 |
References
| 1. Granatosky EA, DiPrimio N, Pickering JRE, Stevens DC, Perlstein EO, Taylor RE.. (2018) GEX1A, a Polyketide from Streptomyces chromofuscus, Corrects the Cellular Defects Associated with Niemann-Pick Type C1 in Human Fibroblasts., 81 (9): [PMID:30188717] [10.1021/acs.jnatprod.8b00314] |
Source
Source(1):