| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732464
Max Phase: Preclinical
Molecular Formula: C25H27N7O
Molecular Weight: 441.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2ccc(-c3cn4c(-c5ccc(C(=O)N(C)C)cc5)cnc4cn3)cn2)CC1
Standard InChI: InChI=1S/C25H27N7O/c1-29(2)25(33)19-6-4-18(5-7-19)22-15-28-24-16-26-21(17-32(22)24)20-8-9-23(27-14-20)31-12-10-30(3)11-13-31/h4-9,14-17H,10-13H2,1-3H3
Standard InChI Key: FRHIGJMOBUQTJW-UHFFFAOYSA-N
Associated Targets(non-human)
Beta-TC6 562 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: 441.54 | Molecular Weight (Monoisotopic): 441.2277 | AlogP: 2.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.87 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.47 | CX LogP: 1.77 | CX LogD: 1.44 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.49 | Np Likeness Score: -1.72 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):