| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284608
Max Phase: Preclinical
Molecular Formula: C19H20Cl2O4
Molecular Weight: 383.27
Associated Items:
Representations
Canonical SMILES: COc1cc2c(cc1Cl)C(C)(C)CC(C)(c1cc(Cl)c(O)cc1O)O2
Standard InChI: InChI=1S/C19H20Cl2O4/c1-18(2)9-19(3,10-5-12(20)15(23)7-14(10)22)25-16-8-17(24-4)13(21)6-11(16)18/h5-8,22-23H,9H2,1-4H3
Standard InChI Key: IZLRJHGFPPFVIF-UHFFFAOYSA-N
Associated Targets(Human)
FTO Tchem Alpha-ketoglutarate-dependent dioxygenase FTO (473 Activities)
Molecule Features
| 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 |
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: 383.27 | Molecular Weight (Monoisotopic): 382.0739 | AlogP: 5.39 | #Rotatable Bonds: 2 |
| Polar Surface Area: 58.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.83 | CX Basic pKa: | CX LogP: 5.40 | CX LogD: 5.26 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.73 | Np Likeness Score: 0.81 |
References
| 1. Perry GS, Das M, Woon ECY.. (2021) Inhibition of AlkB Nucleic Acid Demethylases: Promising New Epigenetic Targets., 64 (23.0): [PMID:34792334] [10.1021/acs.jmedchem.1c01694] |
Source
Source(1):