| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4210584
Max Phase: Preclinical
Molecular Formula: C20H25NO3
Molecular Weight: 327.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@@H]12
Standard InChI: InChI=1S/C20H25NO3/c1-19-6-4-7-20(2,18(23)21-3)17(19)15(22)10-13-9-12-5-8-24-16(12)11-14(13)19/h5,8-9,11,15,17,22H,4,6-7,10H2,1-3H3,(H,21,23)/t15-,17-,19-,20-/m1/s1
Standard InChI Key: ALHFDAYGLLKSTJ-RARDXLECSA-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: 327.42 | Molecular Weight (Monoisotopic): 327.1834 | AlogP: 3.16 | #Rotatable Bonds: 1 |
| Polar Surface Area: 62.47 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.77 | CX LogD: 2.77 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.85 | Np Likeness Score: 1.88 |
References
| 1. (2016) 7 (12): [10.1039/C6MD00354K] |
Source
Source(1):