| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1969883
Max Phase: Preclinical
Molecular Formula: C21H26N4O6
Molecular Weight: 430.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(Cc1ccc2c(c1)CCCN2C)C(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C21H26N4O6/c1-23-8-3-4-13-10-12(5-6-14(13)23)11-24(2)19(29)18-16(27)17(28)20(31-18)25-9-7-15(26)22-21(25)30/h5-7,9-10,16-18,20,27-28H,3-4,8,11H2,1-2H3,(H,22,26,30)/t16-,17+,18-,20+/m0/s1
Standard InChI Key: HFPQFQVGZOMPTL-HLNWXESRSA-N
Associated Targets(Human)
Polyadenylate-binding protein 1 2615 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: 430.46 | Molecular Weight (Monoisotopic): 430.1852 | AlogP: -0.80 | #Rotatable Bonds: 4 |
| Polar Surface Area: 128.10 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.70 | CX Basic pKa: 4.89 | CX LogP: -0.14 | CX LogD: -0.14 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.58 | Np Likeness Score: -0.28 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):