Name And Identifier
ID: ALA1732292
Max Phase: Preclinical
Molecular Formula: C38H57N7
Molecular Weight: 611.92
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 |
|---|---|
| IC50 | 1 |
| EC50 | 2 |
| Potency | 5 |
| Assay Summary | Count |
|---|---|
| B-Binding | 2 |
| F-Functional | 6 |
Properties
| Molecular Weight: 611.92 | Molecular Weight (Monoisotopic): 611.4675 |
| AlogP: 6.00 | #Rotatable Bonds: 15 |
| Polar Surface Area: 75.19 | Molecular Species: BASE |
| HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 |
| HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 12.11 |
| CX LogP: 7.35 | CX LogD: 1.55 |
| Aromatic Rings: 2 | Heavy Atoms: 45 |
| QED Weighted: 0.26 | Np Likeness Score: -0.19 |
Source
Source(1):