| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3805648
Max Phase: Preclinical
Molecular Formula: C29H51N3
Molecular Weight: 441.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1C[C@H]2C[C@@H]3N[C@H](C[C@H]4C[C@H](C)C[C@@H]5[C@H]4CCCN5C)CC[C@@H]3[C@@H]3C[C@H]2[C@H](C1)N(C)C3
Standard InChI: InChI=1S/C29H51N3/c1-18-10-20(25-6-5-9-31(3)28(25)12-18)14-23-7-8-24-22-15-26-21(16-27(24)30-23)11-19(2)13-29(26)32(4)17-22/h18-30H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23-,24+,25-,26+,27-,28+,29-/m0/s1
Standard InChI Key: YOUMXABYVSGFKR-REQGQGDPSA-N
Associated Targets(Human)
Acetyl-CoA acetyltransferase, mitochondrial 21 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: 441.75 | Molecular Weight (Monoisotopic): 441.4083 | AlogP: 5.26 | #Rotatable Bonds: 2 |
| 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: 5.01 | CX LogD: -2.28 |
| Aromatic Rings: 0 | Heavy Atoms: 32 | QED Weighted: 0.63 | Np Likeness Score: 1.91 |
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):