| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4549739
Max Phase: Preclinical
Molecular Formula: C17H25N
Molecular Weight: 243.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(/C=C/C1=CCCCC1)=C\C=C\C(C)=C\CN
Standard InChI: InChI=1S/C17H25N/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h6-9,11-13H,3-5,10,14,18H2,1-2H3/b8-6+,12-11+,15-7+,16-13+
Standard InChI Key: ZEEKMKPUEYHPGC-ZOKDAMQKSA-N
Associated Targets(non-human)
Lecithin retinol acyltransferase 88 Activities
Retinoid isomerohydrolase 75 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mus musculus 284745 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: Unknown | 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: 243.39 | Molecular Weight (Monoisotopic): 243.1987 | AlogP: 4.45 | #Rotatable Bonds: 5 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.64 | CX LogP: 3.76 | CX LogD: 1.58 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.71 | Np Likeness Score: 1.57 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):