| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1990005
Max Phase: Preclinical
Molecular Formula: C32H32N2O5S
Molecular Weight: 556.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1
Standard InChI: InChI=1S/C32H32N2O5S/c1-3-39-29-19-26-30(32(36)34(31(26)35)23-12-8-5-9-13-23)25-18-28(22-10-6-4-7-11-22)33(20-27(25)29)40(37,38)24-16-14-21(2)15-17-24/h4-17,25-26,28,30H,3,18-20H2,1-2H3/t25-,26+,28-,30-/m1/s1
Standard InChI Key: DQNRDWUNHKUVPL-GGLVTHGASA-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: 556.68 | Molecular Weight (Monoisotopic): 556.2032 | AlogP: 5.25 | #Rotatable Bonds: 6 |
| Polar Surface Area: 83.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.30 | CX LogD: 4.30 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.39 | Np Likeness Score: -0.65 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):