| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA347691
Max Phase: Preclinical
Molecular Formula: C24H32O2
Molecular Weight: 352.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1C
Standard InChI: InChI=1S/C24H32O2/c1-7-26-23(25)21-12-11-20(16-19(21)4)15-17(2)10-13-22-18(3)9-8-14-24(22,5)6/h10-13,15-16H,7-9,14H2,1-6H3/b13-10+,17-15+
Standard InChI Key: GMDIYEKRTIZHPQ-WFKIQOLASA-N
Associated Targets(non-human)
Ornithine decarboxylase 263 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 352.52 | Molecular Weight (Monoisotopic): 352.2402 | AlogP: 6.66 | #Rotatable Bonds: 5 |
| Polar Surface Area: 26.30 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.77 | CX LogD: 6.77 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.44 | Np Likeness Score: 0.74 |
References
| 1. Dawson MI, Hobbs PD, Chan RL, Chao WR, Fung VA.. (1981) Aromatic retinoic acid analogues. Synthesis and pharmacological activity., 24 (5): [PMID:7241516] [10.1021/jm00137a019] |
Source
Source(1):