Name And Identifier
ID: ALA1735873
Max Phase: Preclinical
Molecular Formula: C25H28N4O2
Molecular Weight: 416.53
Molecule Type: Small molecule
Representations
Molfile:
Canonical SMILES:
Standard InChI:
Standard InChI Key:
Alternative Forms
Molecule Features
| Natural Product: No | Chemical Probe: No |
| Molecule Type: Small molecule | First In Class: No |
| Chirality: No | Prodrug: No |
| Oral: No | Parenteral: No |
| Topical: No | Black Box: No |
| Availability: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | Target Name | Target Type | Target Organism | Binding Site Name |
|---|
Activity Summary
| Bioactivity Summary | Count |
|---|---|
| Potency | 10 |
| Assay Summary | Count |
|---|---|
| B-Binding | 1 |
| F-Functional | 9 |
Properties
| Molecular Weight: 416.53 | Molecular Weight (Monoisotopic): 416.2212 |
| AlogP: 4.79 | #Rotatable Bonds: 8 |
| Polar Surface Area: 64.16 | Molecular Species: NEUTRAL |
| HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 |
| HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.82 |
| CX LogP: 4.14 | CX LogD: 4.13 |
| Aromatic Rings: 4 | Heavy Atoms: 31 |
| QED Weighted: 0.41 | Np Likeness Score: -1.69 |
Source
Source(1):