| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4458563
Max Phase: Preclinical
Molecular Formula: C32H25Cl6N2O+
Molecular Weight: 666.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: ClCc1ccc(C(C[n+]2ccn(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)OCc2ccc(Cl)cc2Cl)c(Cl)c1
Standard InChI: InChI=1S/C32H25Cl6N2O/c33-17-21-1-12-28(30(38)15-21)31(41-19-24-6-11-27(36)16-29(24)37)18-39-13-14-40(20-39)32(22-2-7-25(34)8-3-22)23-4-9-26(35)10-5-23/h1-16,20,31-32H,17-19H2/q+1
Standard InChI Key: QFAZWBSIQZNXKF-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: 666.28 | Molecular Weight (Monoisotopic): 663.0093 | AlogP: 10.38 | #Rotatable Bonds: 10 |
| Polar Surface Area: 18.04 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.11 | CX LogD: 7.11 |
| Aromatic Rings: 5 | Heavy Atoms: 41 | QED Weighted: 0.11 | Np Likeness Score: -0.49 |
References
| 1. (2012) Inhibitors of eya2, |
Source
Source(1):