| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3929895
Max Phase: Preclinical
Molecular Formula: C28H26O6
Molecular Weight: 458.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C/C(=O)/C(Cc2ccccc2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Standard InChI: InChI=1S/C28H26O6/c1-33-27-17-20(10-14-25(27)31)8-12-23(29)22(16-19-6-4-3-5-7-19)24(30)13-9-21-11-15-26(32)28(18-21)34-2/h3-15,17-18,29,31-32H,16H2,1-2H3/b12-8+,13-9+,23-22-
Standard InChI Key: RJYZAPXSNAXKPO-BTABOOAISA-N
Associated Targets(Human)
Nuclear factor NF-kappa-B p105 subunit 1459 Activities
Proto-oncogene c-JUN 434 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: 458.51 | Molecular Weight (Monoisotopic): 458.1729 | AlogP: 5.47 | #Rotatable Bonds: 9 |
| Polar Surface Area: 96.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.84 | CX Basic pKa: | CX LogP: 5.73 | CX LogD: 5.72 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.22 | Np Likeness Score: 0.21 |
References
| 1. (2015) Therapeutic curcumin derivatives, |
Source
Source(1):