| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4215983
Max Phase: Preclinical
Molecular Formula: C27H28O5
Molecular Weight: 432.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(=O)c3ccccc3)[C@@H]12
Standard InChI: InChI=1S/C27H28O5/c1-26-11-7-12-27(2,25(29)30-3)23(26)22(32-24(28)17-8-5-4-6-9-17)15-19-14-18-10-13-31-21(18)16-20(19)26/h4-6,8-10,13-14,16,22-23H,7,11-12,15H2,1-3H3/t22-,23-,26-,27-/m1/s1
Standard InChI Key: WWWOXCJIQWQXBJ-FKDDUOCFSA-N
Associated Targets(Human)
Zinc finger protein GLI1 201 Activities
Molecule Features
| 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 |
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: 432.52 | Molecular Weight (Monoisotopic): 432.1937 | AlogP: 5.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 65.74 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.00 | CX LogD: 6.00 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.51 | Np Likeness Score: 1.82 |
References
| 1. (2016) 7 (12): [10.1039/C6MD00354K] |
Source
Source(1):