Name And Identifier
ID: ALA1762820
Max Phase: Preclinical
Molecular Formula: C19H25FN6O
Molecular Weight: 372.45
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 |
| LogD | 1 |
| Assay Summary | Count |
|---|---|
| B-Binding | 1 |
| P-Physicochemical | 1 |
Properties
| Molecular Weight: 372.45 | Molecular Weight (Monoisotopic): 372.2074 |
| AlogP: 3.31 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.44 | Molecular Species: NEUTRAL |
| HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 |
| HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.06 |
| CX LogP: 3.37 | CX LogD: 3.37 |
| Aromatic Rings: 3 | Heavy Atoms: 27 |
| QED Weighted: 0.63 | Np Likeness Score: -1.51 |
References
| 1. Zuev D, Mattson RJ, Huang H, Mattson GK, Zueva L, Nielsen JM, Kozlowski ES, Huang XS, Wu D, Gao Q, Lodge NJ, Bronson JJ, Macor JE.. (2011) . Potential CRF1R PET imaging agents: N-fluoroalkyl-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-alkylpyrazolo[1,5-a][1,3,5]triazin-4-amines., 21 (8): [PMID:21411322] |
Source
Source(1):