| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA515684
Max Phase: Preclinical
Molecular Formula: C26H41NO7
Molecular Weight: 479.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC[C@@H]1[C@H](CC(=O)CCCCCCCCC(=O)O)O[C@]2(O)CC13C(=CC2=O)NC[C@@H]3O
Standard InChI: InChI=1S/C26H41NO7/c1-2-3-8-12-19-20(14-18(28)11-9-6-4-5-7-10-13-24(31)32)34-26(33)17-25(19)21(15-22(26)29)27-16-23(25)30/h15,19-20,23,27,30,33H,2-14,16-17H2,1H3,(H,31,32)/t19-,20+,23+,25?,26-/m1/s1
Standard InChI Key: VMUKONOXODRWTD-FSJJMVLZSA-N
Associated Targets(non-human)
Lemna aequinoctialis 120 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: 479.61 | Molecular Weight (Monoisotopic): 479.2883 | AlogP: 3.24 | #Rotatable Bonds: 15 |
| Polar Surface Area: 133.16 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.02 | CX Basic pKa: | CX LogP: 3.58 | CX LogD: 1.23 |
| Aromatic Rings: 0 | Heavy Atoms: 34 | QED Weighted: 0.26 | Np Likeness Score: 1.46 |
References
| 1. Kai K, Takeuchi J, Kataoka T, Yokoyama M, Watanabe N.. (2008) Structure and biological activity of novel FN analogs as flowering inducers., 16 (23): [PMID:18952445] [10.1016/j.bmc.2008.10.014] |
Source
Source(1):