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ID: ALA3213499
Max Phase: Preclinical
Molecular Formula: C19H21N3
Molecular Weight: 291.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C(/C=C/c1ccccc1)=N/N1CCN(c2ccccc2)CC1
Standard InChI: InChI=1S/C19H21N3/c1-3-8-18(9-4-1)10-7-13-20-22-16-14-21(15-17-22)19-11-5-2-6-12-19/h1-13H,14-17H2/b10-7+,20-13-
Standard InChI Key: DRZKQZGSCHQABC-WAYKPHQQSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 291.40 | Molecular Weight (Monoisotopic): 291.1735 | AlogP: 3.51 | #Rotatable Bonds: 4 |
| Polar Surface Area: 18.84 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.37 | CX LogP: 3.60 | CX LogD: 3.60 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -0.90 |
References
| 1. PubChem BioAssay data set, |
