| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4529627
Max Phase: Preclinical
Molecular Formula: C21H18O4
Molecular Weight: 334.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C)c(C(=O)COC(=O)c2c(O)ccc3ccccc23)c1
Standard InChI: InChI=1S/C21H18O4/c1-13-7-8-14(2)17(11-13)19(23)12-25-21(24)20-16-6-4-3-5-15(16)9-10-18(20)22/h3-11,22H,12H2,1-2H3
Standard InChI Key: PFHGAXZEEQWARY-UHFFFAOYSA-N
Associated Targets(Human)
Krueppel-like factor 10 149 Activities
Molecule Features
| 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 |
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: 334.37 | Molecular Weight (Monoisotopic): 334.1205 | AlogP: 4.20 | #Rotatable Bonds: 4 |
| Polar Surface Area: 63.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.52 | CX Basic pKa: | CX LogP: 5.57 | CX LogD: 5.57 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.57 | Np Likeness Score: -0.59 |
References
| 1. (2017) Use of small molecule inhibitors to klf10 for modulation of t regulatory cells and cancer immunotherapy, |
Source
Source(1):