| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4217371
Max Phase: Preclinical
Molecular Formula: C28H46O7
Molecular Weight: 494.67
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@@H](C)OC(C)=O)O1
Standard InChI: InChI=1S/C28H46O7/c1-17(16-28(7)27(35-28)20(4)26(32-9)21(5)33-22(6)29)11-10-12-18(2)25-19(3)13-14-23(34-25)15-24(30)31-8/h10-12,17,19-21,23,25-27H,13-16H2,1-9H3/b11-10+,18-12+/t17-,19+,20-,21-,23-,25-,26-,27-,28-/m1/s1
Standard InChI Key: NPSNUKYKXLTUSI-QHCYMRRYSA-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: 494.67 | Molecular Weight (Monoisotopic): 494.3244 | AlogP: 5.02 | #Rotatable Bonds: 12 |
| Polar Surface Area: 83.59 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.54 | CX LogD: 4.54 |
| Aromatic Rings: 0 | Heavy Atoms: 35 | QED Weighted: 0.21 | Np Likeness Score: 1.95 |
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):