| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CNIDILIDE
ID: ALA2252753
Max Phase: Preclinical
Molecular Formula: C12H18O2
Molecular Weight: 194.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC[C@@H]1OC(=O)[C@@H]2C=CCC[C@H]12
Standard InChI: InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3/t9-,10+,11-/m0/s1
Standard InChI Key: UXDIXFDKSPCUIX-AXFHLTTASA-N
Associated Targets(non-human)
Acetylcholine receptor subunit beta-like 2 115 Activities
Drosophila melanogaster 359 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: 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: 194.27 | Molecular Weight (Monoisotopic): 194.1307 | AlogP: 2.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.95 | CX LogD: 2.95 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.51 | Np Likeness Score: 2.07 |
References
| 1. Tsukamoto T, Ishikawa Y, Miyazawa M.. (2005) Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster., 53 (14): [PMID:15998112] [10.1021/jf050110v] |
Source
Source(1):