ID: ALA3805043
Chembl Id: CHEMBL3805043
PubChem CID: 127052891
Max Phase: Preclinical
Molecular Formula: C28H49N3
Molecular Weight: 427.72
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C[C@@H]1C[C@H]2C[C@@H]3N[C@H](C[C@H]4C[C@H](C)C[C@H]5NCCC[C@@H]45)CC[C@@H]3[C@@H]3C[C@H]2[C@H](C1)N(C)C3
Standard InChI: InChI=1S/C28H49N3/c1-17-9-19(23-5-4-8-29-26(23)11-17)13-22-6-7-24-21-14-25-20(15-27(24)30-22)10-18(2)12-28(25)31(3)16-21/h17-30H,4-16H2,1-3H3/t17-,18+,19+,20-,21+,22-,23-,24+,25+,26+,27-,28-/m0/s1
Standard InChI Key: QBFOXXDDQHXLJM-GBSVEXJQSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| 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: 427.72 | Molecular Weight (Monoisotopic): 427.3926 | AlogP: 4.91 | #Rotatable Bonds: 2 |
| Polar Surface Area: 27.30 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 11.23 | CX LogP: 4.62 | CX LogD: -3.45 |
| Aromatic Rings: ┄ | Heavy Atoms: 31 | QED Weighted: 0.66 | Np Likeness Score: 2.04 |
| 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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