| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1605357
Max Phase: Preclinical
Molecular Formula: C19H22O7
Molecular Weight: 362.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1
Standard InChI: InChI=1S/C19H22O7/c1-4-5-6-13-9-12-10-15(20)19(2,18(23)14(12)11-25-13)26-17(22)8-7-16(21)24-3/h9-11H,4-8H2,1-3H3
Standard InChI Key: GKOXNCCRDMDZRS-UHFFFAOYSA-N
Associated Targets(non-human)
Zinc finger protein mex-5 1676 Activities
Cytoplasmic zinc-finger protein 1690 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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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: 362.38 | Molecular Weight (Monoisotopic): 362.1366 | AlogP: 2.31 | #Rotatable Bonds: 7 |
| Polar Surface Area: 95.97 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.19 | CX LogD: 2.19 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.51 | Np Likeness Score: 1.92 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):