| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4483820
Max Phase: Preclinical
Molecular Formula: C24H26N4O2
Molecular Weight: 402.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(Cc2ccc(N(C)C=O)cc2)c(C)nc1Cc1ccc(N(C)C=O)cc1
Standard InChI: InChI=1S/C24H26N4O2/c1-17-23(13-19-5-9-21(10-6-19)27(3)15-29)26-18(2)24(25-17)14-20-7-11-22(12-8-20)28(4)16-30/h5-12,15-16H,13-14H2,1-4H3
Standard InChI Key: CNVOHHZMQVBZQE-UHFFFAOYSA-N
Associated Targets(non-human)
RAW264.7 (28094 Activities)
Rela Transcription factor p65 (175 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (714 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: 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 |
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Properties
| Molecular Weight: 402.50 | Molecular Weight (Monoisotopic): 402.2056 | AlogP: 3.46 | #Rotatable Bonds: 8 |
| Polar Surface Area: 66.40 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.13 | CX LogP: 1.84 | CX LogD: 1.84 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.54 | Np Likeness Score: -0.22 |
References
| 1. Lee DS, Yoon CS, Jung YT, Yoon JH, Kim YC, Oh H.. (2016) Marine-Derived Secondary Metabolite, Griseusrazin A, Suppresses Inflammation through Heme Oxygenase-1 Induction in Activated RAW264.7 Macrophages., 79 (4): [PMID:27019105] [10.1021/acs.jnatprod.6b00009] |
Source
Source(1):