| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3805795
Max Phase: Preclinical
Molecular Formula: C30H53N3
Molecular Weight: 455.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1CCC[C@@H]2[C@@H](C[C@@H]3CC[C@@H]4[C@@H]5C[C@@H]6[C@@H](C[C@@H](C)C[C@@H]6N(C)C5)C[C@@H]4N3)C[C@H](C)C[C@@H]21
Standard InChI: InChI=1S/C30H53N3/c1-5-33-10-6-7-26-21(11-20(3)14-30(26)33)15-24-8-9-25-23-16-27-22(17-28(25)31-24)12-19(2)13-29(27)32(4)18-23/h19-31H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+/m1/s1
Standard InChI Key: KUAFTTDYFQSMKD-DARYLBADSA-N
Associated Targets(Human)
Acetyl-CoA acetyltransferase, mitochondrial 21 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: 455.78 | Molecular Weight (Monoisotopic): 455.4239 | AlogP: 5.65 | #Rotatable Bonds: 3 |
| Polar Surface Area: 18.51 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 11.10 | CX LogP: 5.36 | CX LogD: -1.68 |
| Aromatic Rings: 0 | Heavy Atoms: 33 | QED Weighted: 0.59 | Np Likeness Score: 1.87 |
References
| 1. Ishiuchi K, Jiang WP, Fujiwara Y, Wu JB, Kitanaka S.. (2016) Serralongamines B-D, three new Lycopodium alkaloids from Lycopodium serratum var. longipetiolatum, and their inhibitory effects on foam cell formation in macrophages., 26 (11): [PMID:27086123] [10.1016/j.bmcl.2016.04.019] |
Source
Source(1):