| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ERYTHRIBYSSIN N
ID: ALA1098278
Max Phase: Preclinical
Molecular Formula: C21H18O5
Molecular Weight: 350.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): erythribyssin N
Synonyms from Alternative Forms(1):
Canonical SMILES: COc1ccc2c(oc3c4ccc(O)cc4oc(=O)c23)c1CC=C(C)C
Standard InChI: InChI=1S/C21H18O5/c1-11(2)4-6-13-16(24-3)9-8-15-18-20(26-19(13)15)14-7-5-12(22)10-17(14)25-21(18)23/h4-5,7-10,22H,6H2,1-3H3
Standard InChI Key: IPNXSQTYICCBKP-UHFFFAOYSA-N
Associated Targets(non-human)
5'-AMP-activated protein kinase catalytic subunit alpha-1 27 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: 350.37 | Molecular Weight (Monoisotopic): 350.1154 | AlogP: 4.92 | #Rotatable Bonds: 3 |
| Polar Surface Area: 72.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.11 | CX Basic pKa: | CX LogP: 4.27 | CX LogD: 3.81 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.42 | Np Likeness Score: 1.68 |
References
| 1. Nguyen PH, Nguyen TN, Dao TT, Kang HW, Ndinteh DT, Mbafor JT, Oh WK.. (2010) AMP-activated protein kinase (AMPK) activation by benzofurans and coumestans isolated from Erythrina abyssinica., 73 (4): [PMID:20337486] [10.1021/np900745g] |
Source
Source(1):