| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1521027
Max Phase: Preclinical
Molecular Formula: C17H14O5
Molecular Weight: 298.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C=C2CC3(O)CCc4c(ccc(O)c4O)C3=C2C=C1O
Standard InChI: InChI=1S/C17H14O5/c18-12-2-1-9-10(16(12)21)3-4-17(22)7-8-5-13(19)14(20)6-11(8)15(9)17/h1-2,5-6,18,20-22H,3-4,7H2
Standard InChI Key: VEWALYSGQNANFX-UHFFFAOYSA-N
Associated Targets(Human)
Heat shock 70 kDa protein 1 164 Activities
Heat shock cognate 71 kDa protein 193 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: 298.29 | Molecular Weight (Monoisotopic): 298.0841 | AlogP: 1.88 | #Rotatable Bonds: 0 |
| Polar Surface Area: 97.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.83 | CX Basic pKa: | CX LogP: 1.16 | CX LogD: 1.14 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.55 | Np Likeness Score: 2.26 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):