| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2374166
Max Phase: Preclinical
Molecular Formula: C26H37NO5
Molecular Weight: 443.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1[C@@H](OC(C)=O)[C@]23C[C@@H]1[C@@H](OC(C)=O)CC2[C@]12C4C[C@H]3[C@@H]1N(CC)C[C@]4(C)CC[C@@H]2O
Standard InChI: InChI=1S/C26H37NO5/c1-6-27-12-24(5)8-7-21(30)26-19(24)9-17(22(26)27)25-11-16(13(2)23(25)32-15(4)29)18(10-20(25)26)31-14(3)28/h16-23,30H,2,6-12H2,1,3-5H3/t16-,17-,18-,19?,20?,21-,22-,23+,24-,25-,26-/m0/s1
Standard InChI Key: LBTGOQKCUJMQQK-QBBARXANSA-N
Associated Targets(Human)
Ataxin-2 54410 Activities
Glucagon-like peptide 1 receptor 111429 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: Yes | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 443.58 | Molecular Weight (Monoisotopic): 443.2672 | AlogP: 2.93 | #Rotatable Bonds: 3 |
| Polar Surface Area: 76.07 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.22 | CX LogP: 1.41 | CX LogD: -1.32 |
| Aromatic Rings: 0 | Heavy Atoms: 32 | QED Weighted: 0.53 | Np Likeness Score: 3.45 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):