| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4568445
Max Phase: Preclinical
Molecular Formula: C30H50O6
Molecular Weight: 506.72
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=C[C@H](O)[C@]23C)O1
Standard InChI: InChI=1S/C30H50O6/c1-25(2)20(33)9-11-27(5)16-14-21(34)30(8)24(29(7)12-10-22(36-29)26(3,4)35)19(32)15-28(30,6)17(16)13-18(31)23(25)27/h14,17-24,31-35H,9-13,15H2,1-8H3/t17-,18+,19+,20+,21+,22+,23+,24-,27-,28+,29-,30-/m1/s1
Standard InChI Key: NBVDCVBRRFPBSP-OEZREVQBSA-N
Associated Targets(Human)
Telomerase reverse transcriptase 2428 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 506.72 | Molecular Weight (Monoisotopic): 506.3607 | AlogP: 3.57 | #Rotatable Bonds: 2 |
| Polar Surface Area: 110.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.83 | CX Basic pKa: | CX LogP: 1.73 | CX LogD: 1.73 |
| Aromatic Rings: 0 | Heavy Atoms: 36 | QED Weighted: 0.37 | Np Likeness Score: 3.14 |
References
| 1. Ekiz G, Yılmaz S, Yusufoglu H, Kırmızıbayrak PB, Bedir E.. (2019) Microbial Transformation of Cycloastragenol and Astragenol by Endophytic Fungi Isolated from Astragalus Species., 82 (11): [PMID:31713424] [10.1021/acs.jnatprod.9b00336] |
Source
Source(1):