ID: ALA3805710
Chembl Id: CHEMBL3805710
Cas Number: 466-61-5
PubChem CID: 5462445
Max Phase: Preclinical
Molecular Formula: C16H25NO
Molecular Weight: 247.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1
Standard InChI: InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1
Standard InChI Key: BCZFSDNVXODRAJ-JTTNIQEDSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 247.38 | Molecular Weight (Monoisotopic): 247.1936 | AlogP: 2.87 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 20.31 | Molecular Species: BASE | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 10.25 | CX LogP: 2.73 | CX LogD: -0.03 |
| Aromatic Rings: ┄ | Heavy Atoms: 18 | QED Weighted: 0.66 | Np Likeness Score: 1.97 |
| 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] |
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