| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4590718
Max Phase: Preclinical
Molecular Formula: C19H30O
Molecular Weight: 274.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCC/C=C\CCCCCCCc1cccc(O)c1
Standard InChI: InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h5-6,13,15-17,20H,2-4,7-12,14H2,1H3/b6-5-
Standard InChI Key: OTYINVFQXIKPBE-WAYWQWQTSA-N
Associated Targets(Human)
Bcl-xL/BAK 60 Activities
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 60 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: 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: 274.45 | Molecular Weight (Monoisotopic): 274.2297 | AlogP: 6.02 | #Rotatable Bonds: 11 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.11 | CX Basic pKa: | CX LogP: 7.16 | CX LogD: 7.16 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.39 | Np Likeness Score: 1.00 |
References
| 1. Gény C, Rivière G, Bignon J, Birlirakis N, Guittet E, Awang K, Litaudon M, Roussi F, Dumontet V.. (2016) Anacardic Acids from Knema hookeriana as Modulators of Bcl-xL/Bak and Mcl-1/Bid Interactions., 79 (4): [PMID:27008174] [10.1021/acs.jnatprod.5b00915] |
Source
Source(1):