ID: ALA316378
Chembl Id: CHEMBL316378
PubChem CID: 5878893
Max Phase: Preclinical
Molecular Formula: C17H18O3
Molecular Weight: 270.33
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: COc1cc(/C=C/c2ccccc2)cc(OC)c1OC
Standard InChI: InChI=1S/C17H18O3/c1-18-15-11-14(12-16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
Standard InChI Key: CMQGCWMEXQRWSS-MDZDMXLPSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 270.33 | Molecular Weight (Monoisotopic): 270.1256 | AlogP: 3.88 | #Rotatable Bonds: 5 |
| Polar Surface Area: 27.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.84 | CX LogD: 3.84 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: 0.22 |
| 1. Cushman M, Nagarathnam D, Gopal D, Chakraborti AK, Lin CM, Hamel E.. (1991) Synthesis and evaluation of stilbene and dihydrostilbene derivatives as potential anticancer agents that inhibit tubulin polymerization., 34 (8): [PMID:1875350] [10.1021/jm00112a036] |
| 2. Mamidyala SK, Ramu S, Huang JX, Robertson AA, Cooper MA.. (2013) Efficient synthesis of anacardic acid analogues and their antibacterial activities., 23 (6): [PMID:23416004] [10.1016/j.bmcl.2013.01.074] |
| 3. Roman BI, De Coen LM, Thérèse F C Mortier S, De Ryck T, Vanhoecke BW, Katritzky AR, Bracke ME, Stevens CV.. (2013) Design, synthesis and structure-activity relationships of some novel, highly potent anti-invasive (E)- and (Z)-stilbenes., 21 (17): [PMID:23867387] [10.1016/j.bmc.2013.06.048] |
| 4. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
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