ID: ALA5290228
Chembl Id: CHEMBL5290228
Max Phase: Preclinical
Molecular Formula: C18H18Cl2O4
Molecular Weight: 369.24
Associated Items:
Canonical SMILES: CC1(C)CC(C)(c2cc(Cl)c(O)cc2O)Oc2cc(O)c(Cl)cc21
Standard InChI: InChI=1S/C18H18Cl2O4/c1-17(2)8-18(3,9-4-11(19)14(22)6-13(9)21)24-16-7-15(23)12(20)5-10(16)17/h4-7,21-23H,8H2,1-3H3
Standard InChI Key: VSHLILKLIDPGCI-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 369.24 | Molecular Weight (Monoisotopic): 368.0582 | AlogP: 5.09 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.66 | CX Basic pKa: ┄ | CX LogP: 5.25 | CX LogD: 5.04 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.66 | Np Likeness Score: 0.95 |
| 1. Gu J, Xu J, You Q, Guo X.. (2020) Recent developments of small molecules targeting RNA m6A modulators., 196 [PMID:32330741] [10.1016/j.ejmech.2020.112325] |
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