| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1730106
Max Phase: Preclinical
Molecular Formula: C16H15N3
Molecular Weight: 249.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#CC1C(C#N)C2CCC1C1C2N1c1ccccc1
Standard InChI: InChI=1S/C16H15N3/c17-8-13-11-6-7-12(14(13)9-18)16-15(11)19(16)10-4-2-1-3-5-10/h1-5,11-16H,6-7H2
Standard InChI Key: ZBELJUULTIMALZ-UHFFFAOYSA-N
Associated Targets(Human)
Rap guanine nucleotide exchange factor 3 15528 Activities
Associated Targets(non-human)
PvdQ 215 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 249.32 | Molecular Weight (Monoisotopic): 249.1266 | AlogP: 2.56 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.59 | 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: 0.37 | CX LogP: 2.15 | CX LogD: 2.15 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.72 | Np Likeness Score: 0.02 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):