| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4174531
Max Phase: Preclinical
Molecular Formula: C21H41NO3
Molecular Weight: 355.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](CO)COC
Standard InChI: InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)21(24)22-20(17-23)18-25-3/h16,20,23H,4-15,17-18H2,1-3H3,(H,22,24)/b19-16+/t20-/m0/s1
Standard InChI Key: HATWCTHYSHFBSB-UETJRYKRSA-N
Associated Targets(non-human)
Amphibalanus amphitrite 109 Activities
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: 355.56 | Molecular Weight (Monoisotopic): 355.3086 | AlogP: 4.76 | #Rotatable Bonds: 17 |
| Polar Surface Area: 58.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.39 | CX LogD: 5.39 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.29 | Np Likeness Score: 0.69 |
References
| 1. Petitbois JG, Casalme LO, Lopez JAV, Alarif WM, Abdel-Lateff A, Al-Lihaibi SS, Yoshimura E, Nogata Y, Umezawa T, Matsuda F, Okino T.. (2017) Serinolamides and Lyngbyabellins from an Okeania sp. Cyanobacterium Collected from the Red Sea., 80 (10): [PMID:29019684] [10.1021/acs.jnatprod.7b00449] |
Source
Source(1):