ID: ALA2334327
Chembl Id: CHEMBL2334327
PubChem CID: 71720035
Max Phase: Preclinical
Molecular Formula: C18H16O3
Molecular Weight: 280.32
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Oc1cc(CCc2ccc3ccccc3c2)cc(O)c1O
Standard InChI: InChI=1S/C18H16O3/c19-16-10-13(11-17(20)18(16)21)6-5-12-7-8-14-3-1-2-4-15(14)9-12/h1-4,7-11,19-21H,5-6H2
Standard InChI Key: RNVWGJBGBNGIOT-UHFFFAOYSA-N
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 280.32 | Molecular Weight (Monoisotopic): 280.1099 | AlogP: 3.74 | #Rotatable Bonds: 3 |
| Polar Surface Area: 60.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.16 | CX Basic pKa: ┄ | CX LogP: 4.59 | CX LogD: 4.58 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.64 | Np Likeness Score: 0.53 |
| 1. 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] |
| 2. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
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