| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552203
Max Phase: Preclinical
Molecular Formula: C21H33N
Molecular Weight: 299.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1=C(/C=C/C(=C/C=C/C(C)=C/CN)C(C)(C)C)CCCC1
Standard InChI: InChI=1S/C21H33N/c1-17(15-16-22)9-8-12-20(21(3,4)5)14-13-19-11-7-6-10-18(19)2/h8-9,12-15H,6-7,10-11,16,22H2,1-5H3/b9-8+,14-13+,17-15+,20-12-
Standard InChI Key: ZMPWBAAIKGRDMR-SSIZDBQQSA-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: 299.50 | Molecular Weight (Monoisotopic): 299.2613 | AlogP: 5.87 | #Rotatable Bonds: 5 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.64 | CX LogP: 5.03 | CX LogD: 2.86 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.63 | Np Likeness Score: 1.14 |
References
| 1. (2017) Compounds and methods of treating ocular disorders, |
Source
Source(1):