| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA510450
Max Phase: Preclinical
Molecular Formula: C18H38O
Molecular Weight: 270.50
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 2-Octadecanol
Synonyms from Alternative Forms(1):
Canonical SMILES: CCCCCCCCCCCCCCCCC(C)O
Standard InChI: InChI=1S/C18H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h18-19H,3-17H2,1-2H3
Standard InChI Key: OXGBCSQEKCRCHN-UHFFFAOYSA-N
Associated Targets(non-human)
Cutibacterium acnes 887 Activities
Molecule Features
| Natural Product: Yes | 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: 270.50 | Molecular Weight (Monoisotopic): 270.2923 | AlogP: 6.24 | #Rotatable Bonds: 15 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.00 | CX LogD: 7.00 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.35 | Np Likeness Score: 0.67 |
References
| 1. Kubo I, Muroi H, Kubo A.. (1994) Naturally occurring antiacne agents., 57 (1): [PMID:8158169] [10.1021/np50103a002] |
Source
Source(1):