| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4166617
Max Phase: Preclinical
Molecular Formula: C23H43NO4
Molecular Weight: 397.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCC/C=C(\C)C(=O)N[C@H](COC)COC(C)=O
Standard InChI: InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)23(26)24-22(18-27-4)19-28-21(3)25/h17,22H,5-16,18-19H2,1-4H3,(H,24,26)/b20-17+/t22-/m1/s1
Standard InChI Key: FPCGSXVPELFJGR-YMQJMOIJSA-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: 397.60 | Molecular Weight (Monoisotopic): 397.3192 | AlogP: 5.33 | #Rotatable Bonds: 18 |
| Polar Surface Area: 64.63 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.83 | CX LogD: 5.83 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.19 | Np Likeness Score: 0.73 |
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):