ID: ALA4209013
Chembl Id: CHEMBL4209013
PubChem CID: 10589195
Max Phase: Preclinical
Molecular Formula: C17H19NO3
Molecular Weight: 285.34
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)cc1
Standard InChI: InChI=1S/C17H19NO3/c1-18-7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3
Standard InChI Key: IIOUIJTYVIHHEI-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 285.34 | Molecular Weight (Monoisotopic): 285.1365 | AlogP: 2.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.93 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.38 | CX Basic pKa: 8.10 | CX LogP: 2.88 | CX LogD: 2.30 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.74 | Np Likeness Score: 1.19 |
| 1. Kato E, Kimura S, Kawabata J.. (2017) Ability of higenamine and related compounds to enhance glucose uptake in L6 cells., 25 (24): [PMID:29066136] [10.1016/j.bmc.2017.10.011] |
| 2. Freitas L, Valli M, Dametto AC, Pennacchi PC, Andricopulo AD, Maria-Engler SS, Bolzani VS.. (2020) Advanced Glycation End Product Inhibition by Alkaloids from Ocotea paranapiacabensis for the Prevention of Skin Aging., 83 (3): [PMID:32134650] [10.1021/acs.jnatprod.9b01083] |
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