ID: ALA4475580
Chembl Id: CHEMBL4475580
PubChem CID: 155538021
Max Phase: Preclinical
Molecular Formula: C21H22O3
Molecular Weight: 322.40
Molecule Type: Unknown
Associated Items:
Canonical SMILES: COC1=C(OC)C(OC)CC(/C=C/c2ccc3ccccc3c2)=C1
Standard InChI: InChI=1S/C21H22O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-13,20H,14H2,1-3H3/b9-8+
Standard InChI Key: GKGPMJJODIMXTG-CMDGGOBGSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 322.40 | Molecular Weight (Monoisotopic): 322.1569 | AlogP: 4.70 | #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: 3.22 | CX LogD: 3.22 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.80 | Np Likeness Score: 1.09 |
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source(1):
