| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4457900
Max Phase: Preclinical
Molecular Formula: C26H32N2O5
Molecular Weight: 452.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1
Standard InChI: InChI=1S/C26H32N2O5/c1-33-26(32)23(17-20-7-10-22(29)11-8-20)27-24(30)18-21-13-15-28(16-14-21)25(31)12-9-19-5-3-2-4-6-19/h2-8,10-11,21,23,29H,9,12-18H2,1H3,(H,27,30)/t23-/m0/s1
Standard InChI Key: ICCFJZJEMPCZTK-QHCPKHFHSA-N
Associated Targets(Human)
Transcriptional coactivator YAP1 194 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: 452.55 | Molecular Weight (Monoisotopic): 452.2311 | AlogP: 2.85 | #Rotatable Bonds: 9 |
| Polar Surface Area: 95.94 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: | CX LogP: 2.92 | CX LogD: 2.92 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.57 | Np Likeness Score: -0.42 |
References
| 1. (2018) Yap1 inhibitors that target the interaction of yap1 with oct4, |
Source
Source(1):