| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4532983
Max Phase: Preclinical
Molecular Formula: C26H42N2O
Molecular Weight: 398.64
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCOC1C=CC(C(=N)N(CCCC)CCCCC)c2ccccc21
Standard InChI: InChI=1S/C26H42N2O/c1-4-7-10-14-21-29-25-18-17-24(22-15-11-12-16-23(22)25)26(27)28(19-9-6-3)20-13-8-5-2/h11-12,15-18,24-25,27H,4-10,13-14,19-21H2,1-3H3
Standard InChI Key: YHOQPXLZKLAFDN-UHFFFAOYSA-N
Associated Targets(Human)
EYA2 Tbio Eyes absent homolog 2 (5884 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: 398.64 | Molecular Weight (Monoisotopic): 398.3297 | AlogP: 7.25 | #Rotatable Bonds: 14 |
| Polar Surface Area: 36.32 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 11.29 | CX LogP: 6.96 | CX LogD: 4.56 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.16 | Np Likeness Score: -0.03 |
References
| 1. (2012) Inhibitors of eya2, |
Source
Source(1):