| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1729206
Max Phase: Preclinical
Molecular Formula: C13H17NO
Molecular Weight: 203.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=CNC1(c2ccccc2)CCCCC1
Standard InChI: InChI=1S/C13H17NO/c15-11-14-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,14,15)
Standard InChI Key: OYKZJWSJPUGNIC-UHFFFAOYSA-N
Associated Targets(Human)
Parathyroid hormone receptor 47172 Activities
Associated Targets(non-human)
PvdQ 215 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 203.28 | Molecular Weight (Monoisotopic): 203.1310 | AlogP: 2.59 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.59 | CX LogD: 2.59 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.75 | Np Likeness Score: -0.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):